UCSF

ZINC38192471

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2010 27 Yes

CAS Number: 58944-73-3

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) -3.89 -1.78 -104.92 10 12 1 215 382.401 7
Lo Low (pH 4.5-6) -3.89 -1.32 -145.01 11 12 2 216 383.409 7

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

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