UCSF

ZINC19996663

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 18 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) -1.15 -2.4 -42.28 1 8 -1 100 253.238 2
Mid Mid (pH 6-8) -1.61 -0.61 -8.24 2 8 0 96 254.246 2

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

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