UCSF

ZINC69456678

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 26 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) 2.03 6.74 -31.74 2 7 0 92 347.378 3
Hi High (pH 8-9.5) 2.49 5.45 -56.16 1 7 -1 95 346.37 3
Lo Low (pH 4.5-6) 2.03 7.1 -58.36 3 7 1 93 348.386 3

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

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