UCSF

ZINC22564206

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2008 21 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) 0.66 6.33 -105.79 4 4 2 45 293.455 7
Hi High (pH 8-9.5) 0.66 3.97 -46.88 3 4 1 43 292.447 7
Hi High (pH 8-9.5) 0.66 3.69 -2.95 2 4 0 42 291.439 7
Mid Mid (pH 6-8) 0.66 5.65 -36.66 3 4 1 43 292.447 7
Mid Mid (pH 6-8) 0.66 5.93 -137.85 4 4 2 45 293.455 7

Activity (Go SEA)

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