UCSF

ZINC05019515

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 16th, 2006 8 Yes

Popular Name: 3-Methylpent-4-enoic acid 3-Methylpent-4-enoic acid

Find On: PubMed — Wikipedia — Google

CAS Number: 1879-03-4

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) 1.22 3.74 -44.83 0 2 -1 40 113.136 3 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0835248A1; EP0998468A1; WO1999005130A1; WO2000026194A1 IBM Patent Data

Activity (Go SEA)

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