| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2008 | 16 | Yes |
Popular Name: (2S)-N-[(5-bromo-2-thienyl)methyl]-N',N',3-trimethyl-butane-1,2-diamine (2S)-N-[(5-bromo-2-thienyl)methy…
| 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) | 3.47 | 6.77 | -34.26 | 2 | 2 | 1 | 16 | 306.293 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.47 | 4.73 | -1.32 | 1 | 2 | 0 | 15 | 305.285 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.47 | 6.14 | -41.18 | 2 | 2 | 1 | 20 | 306.293 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.47 | 8.18 | -124.35 | 3 | 2 | 2 | 21 | 307.301 | 6 | ↓ |
