| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2010 | 18 | Yes |
Popular Name: N'-[2-[cyclopropyl(2-thienylmethyl)amino]ethyl]-N,N-dimethyl-ethane-1,2-diamine N'-[2-[cyclopropyl(2-thienylmeth…
| 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) | 1.47 | 4.2 | -40.35 | 2 | 3 | 1 | 23 | 268.45 | 9 | ↓ |
| Hi High (pH 8-9.5) | 1.47 | 2.83 | -2.56 | 1 | 3 | 0 | 19 | 267.442 | 9 | ↓ |
| Hi High (pH 8-9.5) | 1.47 | 5.31 | -34.04 | 2 | 3 | 1 | 20 | 268.45 | 9 | ↓ |
| Mid Mid (pH 6-8) | 1.47 | 6.66 | -112.54 | 3 | 3 | 2 | 24 | 269.458 | 9 | ↓ |
| Lo Low (pH 4.5-6) | 1.47 | 7.37 | -84.21 | 3 | 3 | 2 | 21 | 269.458 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
