UCSF

ZINC01586773

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 16 Yes

Popular Name: MONOBUTYL PHTHALATE MONOBUTYL PHTHALATE

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CAS Numbers: 131-70-4 , 25215-53-6

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) 2.73 8.56 -58.13 0 4 -1 66 221.232 6 ↓

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