UCSF

ZINC22151130

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) 4.33 7.9 -4.79 1 2 0 25 240.35 2
Mid Mid (pH 6-8) 4.33 8.36 -31.68 2 2 1 26 241.358 2

Activity (Go SEA)

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