UCSF

ZINC40160781

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2010 14 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) 1.32 3.78 -8.14 1 3 0 42 190.246 3
Lo Low (pH 4.5-6) 1.32 4.14 -35.15 2 3 1 43 191.254 3

Activity (Go SEA)

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