UCSF

ZINC00097700

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2005 19 Yes

Popular Name: Monobenzyl Phthalate Monobenzyl Phthalate

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CAS Numbers: 23239-68-1 , 2528-16-7

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) 2.89 10.02 -60.17 0 4 -1 66 255.249 5 ↓

Vendor Notes

Note Type Comments Provided By
MP 106 TCI

Activity (Go SEA)

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