UCSF

ZINC67490404

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 22 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) 1.92 7.29 -48.79 3 5 1 66 299.398 4
Hi High (pH 8-9.5) 1.92 6.91 -10.15 2 5 0 64 298.39 4
Mid Mid (pH 6-8) 1.92 7.68 -87.6 4 5 2 67 300.406 4

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

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