UCSF

ZINC40334051

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 21 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) -2.05 0.68 -22.57 2 8 0 88 294.359 4
Mid Mid (pH 6-8) -2.05 2.82 -58.26 3 8 1 89 295.367 4

Activity (Go SEA)

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