| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 21st, 2009 | 16 | Yes |
Popular Name: N1-[(1S)-1-(5-bromo-2-thienyl)ethyl]-N2,N2,2-trimethyl-propane-1,2-diamine N1-[(1S)-1-(5-bromo-2-thienyl)et…
| 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) | 3.73 | 6.84 | -31.19 | 2 | 2 | 1 | 16 | 306.293 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.73 | 4.32 | -1.66 | 1 | 2 | 0 | 15 | 305.285 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.73 | 5.9 | -36.29 | 2 | 2 | 1 | 20 | 306.293 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.73 | 8.04 | -111.65 | 3 | 2 | 2 | 21 | 307.301 | 5 | ↓ |
