UCSF

ZINC40166119

Substance Information

In ZINC since Heavy atoms Benign functionality
April 1st, 2010 24 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) 4.39 10.12 -50.86 3 3 1 45 314.412 4
Lo Low (pH 4.5-6) 4.39 10.62 -80.42 4 3 2 47 315.42 4

Activity (Go SEA)

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