UCSF

ZINC40181438

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 32 Yes

Download: MOL2 SDF SMILES Flexibase

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Vendors

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) 4.41 12.7 -17.2 1 5 0 60 420.516 7
Lo Low (pH 4.5-6) 4.41 12.96 -40.04 2 5 1 61 421.524 7

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