UCSF

ZINC95099046

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2013 33 No

CAS Number: [67253-01-4]

Other Names:

MFCD20260480

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) 6.75 9.24 -3.9 2 3 0 50 460.743 2

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