UCSF

ZINC37981005

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 17 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) 1.52 5.67 -44.89 2 4 1 44 234.323 6
Mid Mid (pH 6-8) 1.52 4.25 -11.4 1 4 0 39 233.315 6

Activity (Go SEA)

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