UCSF

ZINC52425426

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 17 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) 1.47 4.55 -39.93 2 3 1 33 272.463 6
Hi High (pH 8-9.5) 1.47 3.19 -5.62 1 3 0 28 271.455 6
Mid Mid (pH 6-8) 1.47 6.67 -94.45 3 3 2 34 273.471 6

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.