UCSF

ZINC09464156

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 38 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) 6.02 15.07 -59.71 0 6 -1 83 506.578 9
Mid Mid (pH 6-8) 6.47 13.97 -27.67 1 6 0 80 507.586 8
Mid Mid (pH 6-8) 5.44 14.98 -18.48 0 6 0 77 507.586 9

Activity (Go SEA)

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