UCSF

ZINC35520921

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 29 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) 5.03 13.52 -44.31 1 3 1 25 439.979 7
Hi High (pH 8-9.5) 5.03 11.96 -11.32 0 3 0 24 438.971 7

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