UCSF

ZINC06578345

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2006 13 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) 1.20 3.25 -29.84 5 5 1 82 179.203 4
Mid Mid (pH 6-8) 0.54 3.11 -12.39 4 5 0 83 178.195 3

Activity (Go SEA)

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