UCSF

ZINC31964994

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 20 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) 1.39 1.48 -57.5 5 6 1 95 280.348 7
Hi High (pH 8-9.5) 1.39 1.09 -14.79 4 6 0 93 279.34 7

Activity (Go SEA)

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