UCSF

ZINC47794550

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2010 25 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) 3.27 10.33 -31.95 2 4 1 46 339.459 7
Hi High (pH 8-9.5) 3.27 9.23 -11.37 1 4 0 42 338.451 7

Activity (Go SEA)

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