UCSF

ZINC69895032

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 24 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) 1.46 3.11 -11.72 2 6 0 77 329.4 3
Hi High (pH 8-9.5) 1.92 2.21 -47.89 1 6 -1 80 328.392 3
Lo Low (pH 4.5-6) 1.46 4.77 -48.97 3 6 1 78 330.408 3

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

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