UCSF

ZINC69232382

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 19 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) -0.79 1.77 -96.81 5 6 2 82 265.361 5
Hi High (pH 8-9.5) -0.79 1.77 -12.75 3 6 0 76 263.345 5
Mid Mid (pH 6-8) -0.79 2.24 -34.03 4 6 1 77 264.353 5

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

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