| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2010 | 18 | Yes |
Popular Name: (2S)-4-[2-dimethylaminoethyl(propyl)amino]-2-methyl-2-(methylamino)butanamide (2S)-4-[2-dimethylaminoethyl(pro…
| 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) | 0.47 | 2.02 | -101.3 | 5 | 5 | 2 | 67 | 260.426 | 10 | ↓ |
| Hi High (pH 8-9.5) | 0.47 | 0.2 | -37.1 | 4 | 5 | 1 | 63 | 259.418 | 10 | ↓ |
| Hi High (pH 8-9.5) | 0.47 | 0.81 | -41.62 | 4 | 5 | 1 | 63 | 259.418 | 10 | ↓ |
| Mid Mid (pH 6-8) | 0.47 | 2.99 | -109.71 | 5 | 5 | 2 | 64 | 260.426 | 10 | ↓ |
| Lo Low (pH 4.5-6) | 0.47 | 3.93 | -202.12 | 6 | 5 | 3 | 69 | 261.434 | 10 | ↓ |
