UCSF

ZINC52904171

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 19 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) 1.10 5.2 -42.57 4 5 1 66 283.783 2
Mid Mid (pH 6-8) 1.10 3.19 -5.88 3 5 0 65 282.775 2
Lo Low (pH 4.5-6) 1.10 5.27 -82.04 5 5 2 68 284.791 2

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

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