| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 8th, 2011 | 18 | Yes |
Popular Name: (4S)-N-[2-(1-methylimidazol-2-yl)ethyl]-4,5,6,7-tetrahydrobenzothiophen-4-amine (4S)-N-[2-(1-methylimidazol-2-yl…
| 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) | 1.15 | 7.43 | -31.17 | 2 | 3 | 1 | 31 | 262.402 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.15 | 8.05 | -47.37 | 2 | 3 | 1 | 34 | 262.402 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.15 | 6.99 | -7.31 | 1 | 3 | 0 | 30 | 261.394 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.15 | 8.49 | -107.28 | 3 | 3 | 2 | 36 | 263.41 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
