UCSF

ZINC19437908

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 21 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) 0.85 0.69 -14.62 3 7 0 99 287.275 4
Lo Low (pH 4.5-6) 0.85 1.56 -52.24 4 7 1 100 288.283 4

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

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