UCSF

ZINC43460867

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 13 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) -0.55 1.23 -37.8 3 4 0 68 241.092 1
Hi High (pH 8-9.5) -0.55 1.33 -6.06 3 4 0 68 241.092 1
Mid Mid (pH 6-8) -0.55 1.64 -48.96 4 4 1 69 242.1 1

Activity (Go SEA)

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