UCSF

ZINC22926484

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 19 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) 0.52 5.13 -101.77 3 4 2 37 262.401 4
Mid Mid (pH 6-8) 0.52 5.28 -123.87 3 4 2 37 262.401 4
Mid Mid (pH 6-8) 0.52 2.75 -38.81 2 4 1 36 261.393 4

Activity (Go SEA)

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