UCSF

ZINC42477602

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 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) -0.88 -2.54 -54.41 6 6 1 117 272.35 5
Hi High (pH 8-9.5) -0.88 -2.86 -17.1 5 6 0 115 271.342 5

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Rings

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