UCSF

ZINC19673309

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 22 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) 1.95 7.06 -50.89 2 5 1 55 299.398 3
Mid Mid (pH 6-8) 1.95 5.68 -10.94 1 5 0 50 298.39 3

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