UCSF

ZINC19993076

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 21 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) 4.34 11.32 -117.76 3 2 2 21 310.913 6
Mid Mid (pH 6-8) 4.34 8.92 -35.29 2 2 1 20 309.905 6
Mid Mid (pH 6-8) 4.34 10.96 -34.77 2 2 1 16 309.905 6

Activity (Go SEA)

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