UCSF

ZINC33327108

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2009 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) -0.35 -4.64 -37.38 2 7 -1 115 232.241 4
Mid Mid (pH 6-8) -0.80 -3.55 -20.71 3 7 0 112 233.249 4
Mid Mid (pH 6-8) -0.35 -5.29 -51.67 2 7 -1 115 232.241 4

Activity (Go SEA)

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