UCSF

ZINC34337920

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 14 No

Popular Name: (3R)-4-benzyloxy-3-methyl-butanal (3R)-4-benzyloxy-3-methyl-butanal

Find On: PubMed — Wikipedia — Google

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 6.41 -7.28 0 2 0 26 192.258 6 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0104375A1; EP0104376A2; US4041058; US4107183; US4111961; US4140702; US4140723; US4163021; US4169209; US4172958; US4180682; US4277610; US4556740; US4578462; US4902818 IBM Patent Data

Activity (Go SEA)

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