UCSF

ZINC33830865

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 32 No

CAS Number: [176665-78-4]

Other Names:

MFCD20260653

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) -0.37 -3.41 -21.76 5 12 0 189 448.336 3

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