UCSF

ZINC05496778

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2006 18 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) 2.47 -3 -23.83 4 6 0 98 260.334 11
Hi High (pH 8-9.5) 2.47 -2.43 -64.49 3 6 -1 101 259.326 11
Hi High (pH 8-9.5) 2.47 -1.87 -111.59 2 6 -2 104 258.318 11

Activity (Go SEA)

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