UCSF

ZINC21797817

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 14 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) 2.82 6 -6.72 1 2 0 25 186.258 2
Mid Mid (pH 6-8) 2.82 6.44 -26.11 2 2 1 26 187.266 2

Activity (Go SEA)

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