UCSF

ZINC33828114

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 4.01 7.34 -108 6 3 2 60 313.489 3
Hi High (pH 8-9.5) 4.01 6.23 -46.7 5 3 1 55 312.481 3

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