UCSF

ZINC01851030

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 15 Yes

Popular Name: Neryl propionate Neryl propionate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 105-90-8 , 105-91-9

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) 4.27 3.92 -5.01 0 2 0 26 210.317 7 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 3.544 Bitter DB
PUBCHEM_PATENT_ID EP0952142A1 IBM Patent Data

Activity (Go SEA)

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