UCSF

ZINC52544070

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 21 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) 2.42 10.03 -94.67 3 3 2 24 291.483 7
Lo Low (pH 4.5-6) 2.42 10.67 -194.44 4 3 3 25 292.491 7

Activity (Go SEA)

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