UCSF

ZINC06231522

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2006 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) 0.69 2.48 -34.88 2 6 -1 89 276.12 5
Hi High (pH 8-9.5) 0.69 2.7 -42.52 2 6 -1 89 276.12 5
Mid Mid (pH 6-8) 1.06 4.35 -13.27 3 6 0 83 277.128 4
Mid Mid (pH 6-8) 1.06 3.85 -40.93 2 6 -1 81 276.12 4
Mid Mid (pH 6-8) 0.69 1.49 -9.24 3 6 0 86 277.128 5
Mid Mid (pH 6-8) 0.69 2.1 -111.35 1 6 -2 87 275.112 5
Lo Low (pH 4.5-6) 1.24 3.43 -8.35 3 6 0 86 277.128 3

Vendor Notes

Note Type Comments Provided By
mp 77 - 78 MolMall (formerly Molecular Diversity Preservation International)

Activity (Go SEA)

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

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