UCSF

ZINC51481712

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2010 21 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) 3.19 9.14 -41.75 2 4 1 46 305.833 7
Hi High (pH 8-9.5) 3.19 7.77 -6.49 1 4 0 41 304.825 7
Lo Low (pH 4.5-6) 3.19 9.21 -101.56 3 4 2 47 306.841 7

Activity (Go SEA)

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

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