UCSF

ZINC40239604

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2010 25 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) 6.92 13.3 -9.02 0 2 0 18 367.279 3
Lo Low (pH 4.5-6) 6.92 13.79 -24.72 1 2 1 19 368.287 3

Activity (Go SEA)

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