| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 17 | Yes |
Popular Name: (1S,2S)-1-(5-bromo-2-thienyl)-N1-(cyclopropylmethyl)-N1-methyl-butane-1,2-diamine (1S,2S)-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) | 3.37 | 5.72 | -43.26 | 3 | 2 | 1 | 31 | 318.304 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.37 | 5.41 | -1.01 | 2 | 2 | 0 | 29 | 317.296 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.37 | 7.75 | -35.96 | 3 | 2 | 1 | 30 | 318.304 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.37 | 8.05 | -117.09 | 4 | 2 | 2 | 32 | 319.312 | 6 | ↓ |
