UCSF

ZINC05817911

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2006 22 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) 3.49 4.02 -11 2 5 0 67 296.326 4
Hi High (pH 8-9.5) 3.12 4.97 -60.13 0 5 -1 66 295.318 4
Hi High (pH 8-9.5) 3.12 4.98 -60.14 0 5 -1 66 295.318 4
Hi High (pH 8-9.5) 3.49 4.78 -47.39 1 5 -1 70 295.318 4
Mid Mid (pH 6-8) 3.49 4.78 -59.06 1 5 -1 70 295.318 4

Activity (Go SEA)

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