UCSF

ZINC69807995

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 20 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) -0.54 7.38 -38.04 1 5 1 51 281.376 2
Mid Mid (pH 6-8) -0.54 7.67 -11.91 0 5 0 50 280.368 2

Activity (Go SEA)

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

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