UCSF

ZINC26522480

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 12 Yes

CAS Number: 49652-51-9

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) -0.39 2.29 -45.8 0 5 -1 80 169.112 2
Lo Low (pH 4.5-6) -0.39 1.36 -16.86 1 5 0 77 170.12 2

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

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