UCSF

ZINC00652182

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 31 No

Other Names:

MFCD00552859

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) 6.04 0.51 -18.56 1 7 0 97 454.269 5
Lo Low (pH 4.5-6) 6.04 0.66 -42.78 2 7 1 98 455.277 5

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

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