UCSF

ZINC51481403

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2010 19 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) 1.91 7.27 -41.39 2 4 1 42 264.393 6
Hi High (pH 8-9.5) 1.91 5.9 -5.56 1 4 0 37 263.385 6

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

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