UCSF

ZINC69814191

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 21 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) -0.21 2.11 -36.16 2 7 1 66 299.395 7
Mid Mid (pH 6-8) -0.21 2.12 -38.5 2 7 1 66 299.395 7
Mid Mid (pH 6-8) -0.21 -0.12 -11.05 1 7 0 65 298.387 7

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

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