UCSF

ZINC05908434

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 19 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) 2.40 5.98 -8.7 2 5 0 71 296.783 5
Hi High (pH 8-9.5) 2.40 5.78 -42.46 1 5 -1 69 295.775 5
Hi High (pH 8-9.5) 2.59 3.76 -43.27 1 5 -1 72 295.775 5
Mid Mid (pH 6-8) 2.59 3.92 -10.92 2 5 0 74 296.783 5
Mid Mid (pH 6-8) 2.40 5.95 -11.59 2 5 0 71 296.783 5

Activity (Go SEA)

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