UCSF

ZINC71308092

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2011 19 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) 4.61 10.78 -38.78 2 1 1 17 339.322 6
Mid Mid (pH 6-8) 4.61 9.56 -2.89 1 1 0 12 338.314 6

Activity (Go SEA)

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