UCSF

ZINC21984847

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 13 No

CAS Number: 58-55-9

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) -1.12 -0.5 -12.15 1 6 0 65 182.183 0
Lo Low (pH 4.5-6) -1.12 0.71 -48.9 2 6 1 67 183.191 0
Lo Low (pH 4.5-6) -1.12 0.6 -49.51 2 6 1 67 183.191 0

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

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