UCSF

ZINC44518761

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 21 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) 2.71 7.96 -98.97 3 4 2 43 293.455 6
Hi High (pH 8-9.5) 2.71 6.72 -34.67 2 4 1 39 292.447 6

Activity (Go SEA)

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