UCSF

ZINC57270848

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2011 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) 3.55 11.8 -8.9 3 7 0 89 390.491 8
Lo Low (pH 4.5-6) 3.55 12.32 -33.32 4 7 1 90 391.499 8

Activity (Go SEA)

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