UCSF

ZINC03978449

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2005 23 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) 2.25 3.46 -52.29 0 6 -1 85 337.735 2
Lo Low (pH 4.5-6) 2.25 2.75 -13.56 1 6 0 82 338.743 2
Lo Low (pH 4.5-6) 2.25 2.7 -18.24 1 6 0 82 338.743 2
Lo Low (pH 4.5-6) 1.50 4.73 -14.6 0 6 0 79 338.743 2

Activity (Go SEA)

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