UCSF

ZINC19439258

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 15 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) 0.61 1.72 -48.77 2 5 -1 89 228.611 3
Mid Mid (pH 6-8) 0.61 2.75 -100.79 1 5 -2 92 227.603 3

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Rings

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