UCSF

ZINC69909157

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 18 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) 2.28 4.84 -5.43 3 4 0 54 286.832 3
Mid Mid (pH 6-8) 2.28 6.95 -30.8 4 4 1 55 287.84 3

Activity (Go SEA)

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

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