UCSF

ZINC06786599

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2006 26 No

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) 1.80 4.45 -61.92 1 6 -1 90 352.366 6
Mid Mid (pH 6-8) 2.25 -2.06 -15.8 2 6 0 87 353.374 5

Activity (Go SEA)

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