UCSF

ZINC19260985

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 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) 0.22 4.84 -43.73 3 4 1 51 234.323 2
Mid Mid (pH 6-8) 0.22 2.58 -9.5 2 4 0 50 233.315 2

Activity (Go SEA)

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