UCSF

ZINC06596742

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2006 18 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) 0.58 2.53 -7.09 2 5 0 71 249.314 7
Lo Low (pH 4.5-6) 0.58 2.81 -37.82 3 5 1 72 250.322 7

Activity (Go SEA)

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