UCSF

ZINC05822045

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2006 14 Yes

Popular Name: Butyl 2-Ethylhexanoate Butyl 2-Ethylhexanoate

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CAS Number: 68443-63-0

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) 4.80 3.3 -3.62 0 2 0 26 200.322 9 ↓

Vendor Notes

Note Type Comments Provided By
BP 230 TCI

Activity (Go SEA)

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