UCSF

ZINC72230766

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2012 9 Yes

CAS Number: 271-29-4

Other Names:

MFCD01686899

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) 0.69 2.11 -35.48 1 2 1 27 119.147 0
Lo Low (pH 4.5-6) 0.69 2.54 -97.35 2 2 2 28 120.155 0

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

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