UCSF

ZINC21983503

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 21 Yes

CAS Number: 438-41-5

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 5.76 -48.97 4 3 1 41 308.877 2
Lo Low (pH 4.5-6) 4.56 6.98 -130.29 5 3 2 45 309.885 2

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

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