UCSF

ZINC49478538

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2010 16 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) 1.15 7.49 -80.38 3 4 1 61 229.344 7
Hi High (pH 8-9.5) 1.15 6.31 -52.63 2 4 0 57 228.336 7
Mid Mid (pH 6-8) 1.15 5.27 -35.49 2 4 0 60 228.336 7

Activity (Go SEA)

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