UCSF

ZINC21049707

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 2.35 3.94 -101.33 0 5 -2 88 310.158 5
Mid Mid (pH 6-8) 2.35 3.86 -50.68 1 5 -1 86 311.166 5

Activity (Go SEA)

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