UCSF

ZINC22148812

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 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) 3.75 6.36 -42.02 3 2 1 31 290.258 7
Hi High (pH 8-9.5) 3.75 7.94 -31.87 3 2 1 30 290.258 7
Mid Mid (pH 6-8) 3.75 8.24 -124.37 4 2 2 32 291.266 7

Activity (Go SEA)

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