UCSF

ZINC22327177

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2008 23 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) 0.99 3.77 -24.87 3 7 0 98 314.345 6
Mid Mid (pH 6-8) 0.99 4.06 -52.75 4 7 1 99 315.353 6

Activity (Go SEA)

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