UCSF

ZINC23283511

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 18 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) 3.22 6.68 -3.46 0 2 0 12 245.366 1
Mid Mid (pH 6-8) 3.22 8.77 -39.71 1 2 1 14 246.374 1

Activity (Go SEA)

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