UCSF

ZINC69869336

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 25 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) 2.18 5.22 -16.27 2 7 0 98 341.367 4
Hi High (pH 8-9.5) 2.18 5.97 -38 1 7 -1 101 340.359 4
Mid Mid (pH 6-8) 2.18 8.31 -36.66 2 7 0 102 341.367 4
Mid Mid (pH 6-8) 2.18 7.55 -60.91 3 7 1 100 342.375 4

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

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