| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 21st, 2011 | 19 | Yes |
Popular Name: (1S)-1-(benzothiophen-3-yl)-N-(cyclopropylmethyl)-N-ethyl-ethane-1,2-diamine (1S)-1-(benzothiophen-3-yl)-N-(c…
| 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) | 2.87 | 6.85 | -49.76 | 3 | 2 | 1 | 31 | 275.441 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.87 | 6.63 | -3.18 | 2 | 2 | 0 | 29 | 274.433 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.87 | 8.15 | -33.59 | 3 | 2 | 1 | 30 | 275.441 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.87 | 8.44 | -133.35 | 4 | 2 | 2 | 32 | 276.449 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
