UCSF

ZINC13635088

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 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) 2.44 5 -18.16 3 9 0 132 353.338 5
Ref Reference (pH 7) 2.44 5.14 -16.25 3 9 0 132 353.338 5
Mid Mid (pH 6-8) 3.35 3.61 -45.13 2 9 -1 138 352.33 5
Mid Mid (pH 6-8) 2.90 3.38 -35.1 2 9 -1 135 352.33 5
Mid Mid (pH 6-8) 2.90 3.12 -42.89 2 9 -1 135 352.33 5
Mid Mid (pH 6-8) 3.35 2.67 -40.39 2 9 -1 138 352.33 5

Activity (Go SEA)

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