UCSF

ZINC49538571

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 20 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) -2.53 1.33 -134.05 2 10 -2 173 292.196 11
Lo Low (pH 4.5-6) -2.53 -0.65 -69.01 3 10 -1 170 293.204 11

Activity (Go SEA)

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