UCSF

ZINC95743563

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2014 11 Yes

CAS Number: 3189-22-8

Other Names:

MFCD00047203

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) 1.63 4.3 -9.54 0 2 0 22 147.177 1

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