UCSF

ZINC40037577

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 32 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) 4.55 13.14 -7.02 0 4 0 37 428.507 4
Mid Mid (pH 6-8) 4.55 14.98 -42.14 1 4 1 38 429.515 4

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