UCSF

ZINC22971971

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 24 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) 3.45 5.79 -16.56 2 5 0 75 364.854 6
Mid Mid (pH 6-8) 3.45 5.86 -39.91 1 5 -1 77 363.846 6

Activity (Go SEA)

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