UCSF

ZINC38124648

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2009 11 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) -0.78 0.63 -39.29 4 2 1 48 152.217 2

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Rings

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