UCSF

ZINC01430752

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 29 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) 3.25 -5.12 -12.61 4 7 0 124 422.901 4
Lo Low (pH 4.5-6) 3.25 -5.01 -41.29 5 7 1 125 423.909 4
Lo Low (pH 4.5-6) 3.25 -4.38 -37.94 5 7 1 125 423.909 4
Lo Low (pH 4.5-6) 3.25 -10.48 -39.03 5 7 1 125 423.909 4
Lo Low (pH 4.5-6) 3.25 -4.27 -92.62 6 7 2 126 424.917 4
Lo Low (pH 4.5-6) 3.25 -10.36 -93.94 6 7 2 126 424.917 4

Activity (Go SEA)

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

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