UCSF

ZINC32709513

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 8th, 2009 16 No

Popular Name: 517 517

Find On: PubMed — Wikipedia — Google

CAS Number: 104-06-3

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) 1.10 3.45 -21.29 4 5 0 80 236.3 4 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 4.192 Bitter DB
Mp [°C] 225 - 230 Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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

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