| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2010 | 10 | Yes |
Popular Name: beta-Alanine, N-(2-aminoethyl)-N-methyl- (9CI) beta-Alanine, N-(2-aminoethyl)-N…
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CAS Number: 160844-41-7
| 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) | -1.34 | 2.14 | -110.95 | 4 | 4 | 1 | 72 | 147.198 | 5 | ↓ |
| Mid Mid (pH 6-8) | -1.34 | 1.76 | -45.04 | 3 | 4 | 0 | 71 | 146.19 | 5 | ↓ |
| Mid Mid (pH 6-8) | -1.34 | -0.18 | -70 | 3 | 4 | 0 | 71 | 146.19 | 5 | ↓ |
