UCSF

ZINC09373913

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 27 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) 3.50 7.42 -37.17 1 5 -1 81 449.708 6
Mid Mid (pH 6-8) 2.92 6.56 -23.99 1 5 0 75 450.716 6
Mid Mid (pH 6-8) 3.95 5.57 -29.39 2 5 0 78 450.716 5

Activity (Go SEA)

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