UCSF

ZINC20420045

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 17 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) 0.55 1.77 -46.08 4 4 1 60 236.339 6
Hi High (pH 8-9.5) 0.55 3.65 -40.11 4 4 1 60 236.339 6
Hi High (pH 8-9.5) 0.55 1.41 -11.62 3 4 0 58 235.331 6
Mid Mid (pH 6-8) 0.55 4.02 -105.07 5 4 2 61 237.347 6

Activity (Go SEA)

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