UCSF

ZINC04962243

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2006 18 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) 3.57 6.81 -34.75 3 2 1 37 242.342 5
Mid Mid (pH 6-8) 3.57 5.59 -4.47 2 2 0 32 241.334 5

Activity (Go SEA)

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