UCSF

ZINC36877948

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 21 Yes

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) 2.68 6 -53.15 4 4 1 66 280.351 4
Mid Mid (pH 6-8) 2.68 6.05 -30 4 4 1 65 280.351 4
Mid Mid (pH 6-8) 2.68 5.99 -10.44 3 4 0 64 279.343 4
Lo Low (pH 4.5-6) 2.68 6.39 -119.17 5 4 2 67 281.359 4

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

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