| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 10th, 2010 | 21 | Yes |
Popular Name: (1S,2R)-1-(5-chloro-2-thienyl)-N1-isopropyl-N1-(2-thienylmethyl)butane-1,2-diamine (1S,2R)-1-(5-chloro-2-thienyl)-N…
| 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) | 4.34 | 8.78 | -119.84 | 4 | 2 | 2 | 32 | 344.977 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.34 | 7.09 | -1.75 | 2 | 2 | 0 | 29 | 342.961 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.34 | 7.42 | -48.71 | 3 | 2 | 1 | 31 | 343.969 | 7 | ↓ |
| Mid Mid (pH 6-8) | 4.34 | 8.45 | -30.94 | 3 | 2 | 1 | 30 | 343.969 | 7 | ↓ |
