UCSF

ZINC36162175

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 15 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) -0.19 0.47 -49.96 2 4 1 54 233.357 2
Lo Low (pH 4.5-6) -0.19 2.34 -118.93 3 4 2 55 234.365 2

Activity (Go SEA)

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