UCSF

ZINC68955232

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2011 14 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) 0.16 3.38 -102.6 4 3 2 41 200.326 5
Mid Mid (pH 6-8) 0.16 3 -31.65 3 3 1 40 199.318 5
Mid Mid (pH 6-8) 0.16 1.07 -43.1 3 3 1 40 199.318 5

Activity (Go SEA)

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

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