UCSF

ZINC44694532

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 14 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) -0.30 0.44 -38.18 3 4 1 47 203.306 7
Mid Mid (pH 6-8) -0.30 1.62 -107.73 4 4 2 52 204.314 7

Activity (Go SEA)

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