UCSF

ZINC36273158

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 9.4 -39.59 3 5 1 57 339.463 6
Hi High (pH 8-9.5) 3.64 8.37 -10.59 2 5 0 56 338.455 6
Mid Mid (pH 6-8) 3.64 6.66 -26.13 3 5 1 57 339.463 6
Mid Mid (pH 6-8) 3.64 9.66 -86.67 4 5 2 58 340.471 6

Activity (Go SEA)

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