UCSF

ZINC37818126

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) -1.63 0.94 -14.28 3 6 0 85 279.34 7
Mid Mid (pH 6-8) -1.63 1.28 -48.78 4 6 1 86 280.348 7

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Rings

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