UCSF

ZINC13123393

Substance Information

In ZINC since Heavy atoms Benign functionality
May 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) 2.49 4.88 -18.21 3 9 0 132 353.338 5
Mid Mid (pH 6-8) 3.40 3.48 -44.93 2 9 -1 138 352.33 5
Mid Mid (pH 6-8) 2.94 3 -42.89 2 9 -1 135 352.33 5
Mid Mid (pH 6-8) 3.40 2.54 -40.31 2 9 -1 138 352.33 5

Activity (Go SEA)

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