UCSF

ZINC43424319

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 15 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) 1.01 1.73 -45.04 3 3 1 40 213.345 4
Lo Low (pH 4.5-6) 1.01 3.39 -111.36 4 3 2 41 214.353 4

Activity (Go SEA)

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