UCSF

ZINC40770258

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 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) 1.65 6.46 -92.57 3 3 2 24 241.423 6
Mid Mid (pH 6-8) 1.65 6.56 -110.27 3 3 2 24 241.423 6
Mid Mid (pH 6-8) 1.65 4.55 -36.06 2 3 1 23 240.415 6

Activity (Go SEA)

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