| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 18 | Yes |
Popular Name: (1S,2S)-N1-cyclopropyl-N1-(3-thienylmethyl)cycloheptane-1,2-diamine (1S,2S)-N1-cyclopropyl-N1-(3-thi…
| 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) | 2.46 | 7.77 | -110.16 | 4 | 2 | 2 | 32 | 266.454 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.46 | 7.44 | -29.22 | 3 | 2 | 1 | 30 | 265.446 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.46 | 6.17 | -34.63 | 3 | 2 | 1 | 31 | 265.446 | 4 | ↓ |
