UCSF

ZINC36273165

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.64 9.58 -38.29 3 5 1 57 339.463 7
Hi High (pH 8-9.5) 3.64 7.15 -9.37 2 5 0 56 338.455 7
Mid Mid (pH 6-8) 3.64 6.85 -26.17 3 5 1 57 339.463 7
Mid Mid (pH 6-8) 3.64 9.92 -86.03 4 5 2 58 340.471 7

Activity (Go SEA)

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