UCSF

ZINC19442288

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 20 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) 0.36 -0.83 -60.12 4 7 0 115 292.32 2
Mid Mid (pH 6-8) 0.36 -2.13 -39.68 3 7 -1 110 291.312 2
Lo Low (pH 4.5-6) 0.36 -1.94 -45.36 5 7 1 112 293.328 2

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

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