UCSF

ZINC22921229

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 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) 2.18 7.9 -39.19 1 4 1 26 273.404 4
Mid Mid (pH 6-8) 2.18 7.77 -39.53 1 4 1 26 273.404 4
Mid Mid (pH 6-8) 2.18 8.35 -82.46 2 4 2 27 274.412 4
Mid Mid (pH 6-8) 2.18 5.55 -7.76 0 4 0 24 272.396 4

Activity (Go SEA)

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