In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 1st, 2009 | 19 | Yes |
Popular Name: MFCD12027536 MFCD12027536
Find On: PubMed — Wikipedia — Google
CAS Number: 1142214-74-1
3-{[4-(2-Hydroxyethyl)piperazin-1-yl]carbonyl}-2,2-dimethylcyclopropanecarboxylic acid
3-{[4-(2-hydroxyethyl)piperazin-1-yl]carbonyl}-2,2-dimethylcyclopropanecarboxylicacid
HYDROXYETHYLPIPERAZINYLCARBONYLDIMETHYLCYCLOPROPANECARBOXYLICACI
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) | -0.16 | 1.89 | -58.19 | 1 | 6 | -1 | 84 | 269.321 | 4 | ↓ |
Lo Low (pH 4.5-6) | -0.16 | 2.16 | -44.36 | 3 | 6 | 1 | 82 | 271.337 | 4 | ↓ |
Lo Low (pH 4.5-6) | -0.16 | -0.08 | -14.24 | 2 | 6 | 0 | 81 | 270.329 | 4 | ↓ |
Lo Low (pH 4.5-6) | -0.16 | 4.13 | -71.15 | 2 | 6 | 0 | 85 | 270.329 | 4 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Warnings | IRRITANT | Matrix Scientific |