UCSF

ZINC01687400

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 15 Yes

Popular Name: 3-Phenylpropyl Isobutyrate 3-Phenylpropyl Isobutyrate

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CAS Number: 103-58-2

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) 3.62 2.93 -5.43 0 2 0 26 206.285 6 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 3.657 Bitter DB
BP 137 / 15 TCI

Activity (Go SEA)

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