UCSF

ZINC20004635

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 18 Yes

Download: MOL2 SDF SMILES Flexibase

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) 0.81 2.62 -58.35 4 4 1 74 271.406 7
Hi High (pH 8-9.5) 0.81 2.29 -9.68 3 4 0 72 270.398 7

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Rings

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