UCSF

ZINC44994869

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 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) 0.61 2.47 -40.28 2 5 1 55 225.316 5
Hi High (pH 8-9.5) 0.60 1.31 -46.69 2 5 1 59 225.316 5
Lo Low (pH 4.5-6) 0.61 3.66 -119.83 3 5 2 60 226.324 5

Activity (Go SEA)

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