UCSF

ZINC04451315

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2005 27 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) 6.05 11.89 -11.76 1 3 0 38 363.501 5
Mid Mid (pH 6-8) 5.57 8.77 -6.18 1 3 0 42 363.501 5

Activity (Go SEA)

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