UCSF

ZINC09969588

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 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) 4.52 11.06 -57.37 0 6 -1 83 450.898 7
Mid Mid (pH 6-8) 4.97 1.02 -26.78 1 6 0 79 451.906 6
Mid Mid (pH 6-8) 3.94 1.25 -18.88 0 6 0 76 451.906 7

Activity (Go SEA)

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