UCSF

ZINC39320611

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 18 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) 1.44 0.98 -50.3 3 5 1 72 249.29 4
Hi High (pH 8-9.5) 1.44 1.59 -30.08 3 5 1 72 249.29 4
Hi High (pH 8-9.5) 1.44 0.57 -8.84 2 5 0 71 248.282 4

Activity (Go SEA)

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