UCSF

ZINC04171056

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 28 Yes

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) 2.14 -3.49 -16.19 4 9 0 136 403.464 9
Lo Low (pH 4.5-6) 2.14 -3.31 -48.33 5 9 1 137 404.472 9
Lo Low (pH 4.5-6) 2.14 -3.28 -39.12 5 9 1 137 404.472 9

Activity (Go SEA)

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

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