UCSF

ZINC13674495

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 18 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) 3.66 7.73 -7.64 0 2 0 22 235.286 2
Lo Low (pH 4.5-6) 3.66 8 -38.58 1 2 1 23 236.294 2

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

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