UCSF

ZINC33887994

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 38 No

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) 2.06 12.55 -51.52 3 11 0 169 523.542 7
Hi High (pH 8-9.5) 2.06 12.06 -66.79 2 11 -1 172 522.534 7
Hi High (pH 8-9.5) 2.06 12.03 -53.12 2 11 -1 165 522.534 7

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