UCSF

ZINC19272114

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 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) 0.46 3.73 -46.33 3 3 1 40 247.362 1
Hi High (pH 8-9.5) 0.46 3.17 -3.29 2 3 0 38 246.354 1
Mid Mid (pH 6-8) 0.46 5.54 -33.73 3 3 1 40 247.362 1
Mid Mid (pH 6-8) 0.46 5.97 -134.25 4 3 2 41 248.37 1

Activity (Go SEA)

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