UCSF

ZINC69701337

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 21 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) 0.11 5.81 -60.65 1 6 1 69 315.463 6
Hi High (pH 8-9.5) 0.11 3.59 -21.13 0 6 0 68 314.455 6
Lo Low (pH 4.5-6) 0.11 6.24 -103.38 2 6 2 71 316.471 6

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

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