| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 30th, 2010 | 17 | Yes |
Popular Name: (1R)-1-(4-bromo-2-thienyl)-N-isobutyl-N-isopropyl-ethane-1,2-diamine (1R)-1-(4-bromo-2-thienyl)-N-iso…
| 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) | 3.16 | 5.44 | -45.6 | 3 | 2 | 1 | 31 | 320.32 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.16 | 4.56 | -1.21 | 2 | 2 | 0 | 29 | 319.312 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.16 | 6.23 | -29.06 | 3 | 2 | 1 | 30 | 320.32 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.16 | 7.04 | -119.43 | 4 | 2 | 2 | 32 | 321.328 | 6 | ↓ |
