UCSF

ZINC31972211

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 1.05 4.59 -51.49 1 7 -1 99 305.31 6
Lo Low (pH 4.5-6) 1.05 3.47 -16.41 2 7 0 96 306.318 6

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