UCSF

ZINC69138244

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 17 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) 0.28 -0.27 -50.01 3 4 1 65 261.411 3
Mid Mid (pH 6-8) 0.28 1.28 -40.12 3 4 1 65 261.411 3
Mid Mid (pH 6-8) 0.28 1.74 -123.53 4 4 2 66 262.419 3
Mid Mid (pH 6-8) 0.28 -0.9 -11.02 2 4 0 63 260.403 3

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

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