UCSF

ZINC39317688

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) 3.43 8.2 -39.49 1 3 1 17 249.378 5
Hi High (pH 8-9.5) 3.43 5.99 -3.95 0 3 0 16 248.37 5

Activity (Go SEA)

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