UCSF

ZINC20468188

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 20 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) 1.92 5.47 -39.94 2 4 1 41 272.372 3
Hi High (pH 8-9.5) 1.92 3.09 -8.57 1 4 0 40 271.364 3
Mid Mid (pH 6-8) 1.92 5.79 -91.97 3 4 2 42 273.38 3
Mid Mid (pH 6-8) 1.92 3.41 -25.5 2 4 1 41 272.372 3

Activity (Go SEA)

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