UCSF

ZINC37826894

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) -1.10 -0.5 -91.61 6 7 2 105 274.365 6
Hi High (pH 8-9.5) -1.10 -0.85 -41.39 5 7 1 103 273.357 6

Activity (Go SEA)

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