UCSF

ZINC52969202

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 31 Yes

CAS Number: 40204-87-3

Other Names:

MFCD00083781

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 3.98 -53.54 5 9 -1 153 425.465 11

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