UCSF

ZINC13889000

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 28th, 2008 35 Yes

Popular Name: LS-112032 LS-112032

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.56 6.45 -33.15 4 10 1 117 482.561 6 ↓
Mid Mid (pH 6-8) 2.56 6.11 -15.81 3 10 0 115 481.553 6 ↓
Lo Low (pH 4.5-6) 2.56 7 -99.94 5 10 2 118 483.569 6 ↓
Lo Low (pH 4.5-6) 2.56 3.7 -98.81 5 10 2 118 483.569 6 ↓
Lo Low (pH 4.5-6) 2.56 8.34 -50.5 4 10 1 117 482.561 6 ↓

Activity (Go SEA)

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

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