UCSF

ZINC31623531

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2009 26 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) 4.56 8.56 -8.84 0 3 0 25 344.458 1
Lo Low (pH 4.5-6) 4.56 8.89 -25.16 1 3 1 27 345.466 1

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

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