UCSF

ZINC37322022

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) 2.61 6.94 -39.13 2 4 1 39 287.383 4
Lo Low (pH 4.5-6) 2.61 5.4 -44.49 2 4 1 42 287.383 4
Lo Low (pH 4.5-6) 2.61 7.88 -112.54 3 4 2 43 288.391 4

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

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