UCSF

ZINC68883768

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2011 24 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) 1.61 2.74 -13.68 2 6 0 88 347.44 6
Lo Low (pH 4.5-6) 1.61 3.14 -46.11 3 6 1 89 348.448 6

Activity (Go SEA)

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

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