UCSF

ZINC40773281

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) 2.20 5.1 -98.87 4 3 2 41 244.423 6
Mid Mid (pH 6-8) 2.20 2.69 -33.93 3 3 1 40 243.415 6

Activity (Go SEA)

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