| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2010 | 16 | Yes |
Popular Name: N-allyl-N'-cyclopropyl-N'-(3-thienylmethyl)ethane-1,2-diamine N-allyl-N'-cyclopropyl-N'-(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) | 1.77 | 8 | -116.78 | 3 | 2 | 2 | 21 | 238.4 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.77 | 6.62 | -33.02 | 2 | 2 | 1 | 16 | 237.392 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.77 | 4.4 | -1.8 | 1 | 2 | 0 | 15 | 236.384 | 8 | ↓ |
| Mid Mid (pH 6-8) | 1.77 | 5.76 | -38.45 | 2 | 2 | 1 | 20 | 237.392 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
