UCSF

ZINC67665312

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2011 26 Yes

CAS Number: 111025-46-8

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) -0.47 2.52 -48.69 2 7 -1 122 377.442 9
Lo Low (pH 4.5-6) -0.47 2.88 -65.47 3 7 0 124 378.45 9

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

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