UCSF

ZINC12605788

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2008 28 Yes

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) 4.29 5.71 -15.51 2 6 0 92 416.524 6
Hi High (pH 8-9.5) 4.29 5.79 -44.1 1 6 -1 94 415.516 6
Hi High (pH 8-9.5) 4.29 5.79 -47.42 1 6 -1 94 415.516 6
Hi High (pH 8-9.5) 4.29 5.87 -97.41 0 6 -2 96 414.508 6

Activity (Go SEA)

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