UCSF

ZINC39952053

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 9 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) 1.23 -0.83 -33.95 4 2 1 48 132.227 2
Hi High (pH 8-9.5) 1.23 -1.18 -2.95 3 2 0 46 131.219 2

Activity (Go SEA)

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