| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 22nd, 2010 | 17 | Yes |
Popular Name: (2S)-N1-allyl-N2-cyclopropyl-N2-(3-thienylmethyl)propane-1,2-diamine (2S)-N1-allyl-N2-cyclopropyl-N2-…
| 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) | 2.10 | 8.56 | -116.74 | 3 | 2 | 2 | 21 | 252.427 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.10 | 7.16 | -30.52 | 2 | 2 | 1 | 16 | 251.419 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.10 | 5.63 | -1.3 | 1 | 2 | 0 | 15 | 250.411 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.10 | 7 | -38.98 | 2 | 2 | 1 | 20 | 251.419 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
