UCSF

ZINC09160135

Substance Information

In ZINC since Heavy atoms Benign functionality
August 10th, 2007 34 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) 4.62 11.97 -37.47 0 6 -1 83 496.37 7
Mid Mid (pH 6-8) 5.07 9.71 -26.02 1 6 0 80 497.378 6
Mid Mid (pH 6-8) 4.04 10.71 -21.55 0 6 0 77 497.378 7

Activity (Go SEA)

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