UCSF

ZINC08838147

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 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) 3.46 8.79 -59.73 0 7 -1 82 463.554 10
Mid Mid (pH 6-8) 2.88 -0.83 -47.73 1 7 1 77 465.57 10
Mid Mid (pH 6-8) 3.46 11.11 -79.01 1 7 0 83 464.562 10

Activity (Go SEA)

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