UCSF

ZINC72266924

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2012 24 Yes

Other Names:

MFCD10565915

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) 2.26 6.51 -38.65 1 5 1 45 352.524 5
Hi High (pH 8-9.5) 2.26 4.14 -9.73 0 5 0 44 351.516 5

Activity (Go SEA)

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

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