UCSF

ZINC44683846

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 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) 2.07 5.25 -42.45 2 3 1 29 247.362 5
Hi High (pH 8-9.5) 2.07 4.01 -3.93 1 3 0 24 246.354 5
Mid Mid (pH 6-8) 2.07 6.39 -33.28 2 3 1 26 247.362 5
Lo Low (pH 4.5-6) 2.07 7.64 -114.83 3 3 2 30 248.37 5

Activity (Go SEA)

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