UCSF

ZINC69131957

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 18 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) -2.44 3.26 -50.56 2 5 0 77 274.386 6
Hi High (pH 8-9.5) -2.44 2.28 -59.42 1 5 -1 72 273.378 6
Lo Low (pH 4.5-6) -2.44 5.14 -88.71 3 5 1 78 275.394 6

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

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