UCSF

ZINC09464153

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 14.68 -60.69 0 6 -1 83 506.578 9
Mid Mid (pH 6-8) 5.44 14.58 -23.94 0 6 0 77 507.586 9
Mid Mid (pH 6-8) 6.47 13.59 -29.02 1 6 0 80 507.586 8

Activity (Go SEA)

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