UCSF

ZINC09380606

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 32 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) 3.02 10.55 -49.36 0 11 -1 165 451.396 6
Mid Mid (pH 6-8) 3.47 9.49 -36.1 1 11 0 162 452.404 5
Mid Mid (pH 6-8) 2.44 0.38 -25.66 0 11 0 158 452.404 6

Activity (Go SEA)

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