UCSF

ZINC31946013

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 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) -1.12 -0.3 -10.8 1 5 0 57 235.287 3
Lo Low (pH 4.5-6) -1.12 2.05 -44.71 2 5 1 58 236.295 3

Activity (Go SEA)

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