UCSF

ZINC69505981

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 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) -0.72 0.09 -59.17 3 6 1 94 274.366 4
Hi High (pH 8-9.5) -0.72 -0.3 -16.42 2 6 0 93 273.358 4
Hi High (pH 8-9.5) -0.72 -0.3 -15.09 2 6 0 93 273.358 4

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

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