UCSF

ZINC40267536

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2010 29 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) 3.39 7.53 -11.4 1 7 0 78 413.861 5
Lo Low (pH 4.5-6) 3.39 8.01 -37.62 2 7 1 79 414.869 5

Activity (Go SEA)

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