UCSF

ZINC19834272

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 15 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) 1.79 3.43 -36.27 4 3 1 55 226.369 6
Hi High (pH 8-9.5) -1.12 3.37 -10.71 4 3 0 55 225.361 6
Mid Mid (pH 6-8) 1.79 5.84 -106.94 5 3 2 56 227.377 6
Mid Mid (pH 6-8) -1.12 5.79 -30.54 5 3 1 56 226.369 6

Activity (Go SEA)

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