UCSF

ZINC33376990

Substance Information

In ZINC since Heavy atoms Benign functionality
July 8th, 2009 25 No

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) 4.17 7.25 -10.02 2 5 0 82 377.227 5
Mid Mid (pH 6-8) 4.35 5.79 -36.3 1 5 -1 89 376.219 5

Activity (Go SEA)

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