UCSF

ZINC69841952

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 22 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) -0.40 -3.03 -18.16 3 7 0 104 347.462 5
Hi High (pH 8-9.5) -0.40 -2.55 -47.47 2 7 -1 101 346.454 5
Lo Low (pH 4.5-6) -0.40 -0.77 -57.56 4 7 1 105 348.47 5

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

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