UCSF

ZINC11613900

Substance Information

In ZINC since Heavy atoms Benign functionality
February 29th, 2008 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) 2.20 5.88 -22.88 2 11 0 166 355.266 4
Ref Reference (pH 7) 2.20 6.03 -21.45 2 11 0 166 355.266 4
Mid Mid (pH 6-8) 2.66 4.28 -37.07 1 11 -1 169 354.258 4
Mid Mid (pH 6-8) 2.66 3.98 -46.29 1 11 -1 169 354.258 4

Activity (Go SEA)

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