UCSF

ZINC32205893

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 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) 2.53 4.06 -51.31 3 4 1 49 307.458 7
Hi High (pH 8-9.5) 2.53 2.56 -5.79 2 4 0 45 306.45 7
Lo Low (pH 4.5-6) 2.53 4.88 -41.71 3 4 1 46 307.458 7

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