UCSF

ZINC67743194

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 28 Yes

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) 3.60 11.99 -92.46 2 4 2 31 379.548 5
Hi High (pH 8-9.5) 3.60 9.3 -47.26 1 4 1 30 378.54 5
Lo Low (pH 4.5-6) 3.60 12.44 -146.85 3 4 3 32 380.556 5

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

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