| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 20th, 2013 | 13 | Yes |
Popular Name: 3-(N,N-Diethanolamino)-L-alanine 3-(N,N-Diethanolamino)-L-alanine
Find On: PubMed — Wikipedia — Google
CAS Number: [700801-50-9]
| 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) | -3.57 | -1.08 | -62.26 | 5 | 6 | 0 | 115 | 192.215 | 5 | ↓ |
| Hi High (pH 8-9.5) | -3.57 | -0.89 | -127.18 | 3 | 6 | -2 | 117 | 190.199 | 5 | ↓ |
| Mid Mid (pH 6-8) | -3.57 | -1.56 | -62.25 | 4 | 6 | -1 | 114 | 191.207 | 5 | ↓ |
| Mid Mid (pH 6-8) | -3.57 | -0.51 | -102.38 | 4 | 6 | -1 | 118 | 191.207 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -3.57 | -2.04 | -82.33 | 6 | 6 | 1 | 113 | 193.223 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.