UCSF

ZINC40481106

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 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) 2.38 6.86 -17.41 1 5 0 60 320.348 3
Lo Low (pH 4.5-6) 2.38 7.22 -39.94 2 5 1 62 321.356 3

Activity (Go SEA)

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