UCSF

ZINC33359803

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 4th, 2009 38 No

Popular Name: CPD000058701; ROLITETRACYCLINE CPD000058701; ROLITETRACYCLINE

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.18 0.72 -70.25 5 11 -1 174 526.566 4 ↓
Hi High (pH 8-9.5) 0.55 1.02 -143.69 4 11 -2 177 525.558 4 ↓
Hi High (pH 8-9.5) 0.10 1.45 -117.93 4 11 -2 177 525.558 4 ↓
Hi High (pH 8-9.5) 0.74 -1.48 -128.16 4 11 -2 180 525.558 4 ↓
Mid Mid (pH 6-8) -0.18 2.31 -71.88 6 11 0 175 527.574 4 ↓
Mid Mid (pH 6-8) 0.55 3.66 -114.9 5 11 -1 178 526.566 4 ↓
Mid Mid (pH 6-8) 0.10 0.47 -60.29 5 11 -1 174 526.566 4 ↓
Mid Mid (pH 6-8) 0.10 4.71 -59.03 7 11 1 176 528.582 4 ↓
Lo Low (pH 4.5-6) 0.74 1.8 -59.39 6 11 0 182 527.574 4 ↓
Lo Low (pH 4.5-6) 0.74 3.07 -77.91 6 11 0 182 527.574 4 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Sigma Chemical Company; NCC_SUPPLIER_STRUCTURE_ID : R2253 NIH Clinical Collection via PubChem
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Sigma Chemical Company; SUPPLIER_STRUCTURE_ID: R2253 NIH Clinical Collection via PubChem

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.