UCSF

ZINC21911091

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 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) 0.57 0.68 -8.51 1 6 0 67 278.356 4
Mid Mid (pH 6-8) 0.57 2.68 -40.55 2 6 1 69 279.364 4

Activity (Go SEA)

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