| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 11th, 2010 | 16 | Yes |
Popular Name: (1S,2R)-1-(4-bromo-2-thienyl)-N1-butyl-N1-methyl-propane-1,2-diamine (1S,2R)-1-(4-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) | 3.20 | 4.69 | -43.12 | 3 | 2 | 1 | 31 | 306.293 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.20 | 6.59 | -34.72 | 3 | 2 | 1 | 30 | 306.293 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.20 | 4.36 | -1.19 | 2 | 2 | 0 | 29 | 305.285 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 3.20 | 6.88 | -114.86 | 4 | 2 | 2 | 32 | 307.301 | 6 | ↓ |
