| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 21 | Yes |
Popular Name: (1S,2R)-1-(5-bromo-2-thienyl)-N1-ethyl-N1-(4-pyridylmethyl)butane-1,2-diamine (1S,2R)-1-(5-bromo-2-thienyl)-N1…
| 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) | 2.98 | 7.45 | -116.71 | 4 | 3 | 2 | 45 | 370.36 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.98 | 5.67 | -3.68 | 2 | 3 | 0 | 42 | 368.344 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.98 | 7.12 | -35.49 | 3 | 3 | 1 | 43 | 369.352 | 7 | ↓ |
| Mid Mid (pH 6-8) | 2.98 | 6.02 | -51.21 | 3 | 3 | 1 | 44 | 369.352 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.98 | 6.48 | -104.68 | 4 | 3 | 2 | 45 | 370.36 | 7 | ↓ |
