UCSF

ZINC69761136

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 16 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) 0.67 7.38 -61.03 1 4 0 54 245.344 3
Mid Mid (pH 6-8) 0.67 5.52 -48.88 0 4 -1 53 244.336 3

Activity (Go SEA)

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

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