UCSF

ZINC06420795

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2006 31 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) 3.69 9.54 -12.38 1 6 0 80 417.461 7
Mid Mid (pH 6-8) 3.11 10.24 -17.77 0 6 0 77 417.461 7

Activity (Go SEA)

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