| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 23rd, 2011 | 19 | Yes |
Popular Name: (8S,9S)-N8-(3-methoxypropyl)-N8-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-8,9-diamine (8S,9S)-N8-(3-methoxypropyl)-N8-…
| 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) | 0.48 | 6.28 | -35.56 | 3 | 3 | 1 | 40 | 263.405 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.48 | 4.52 | -3.29 | 2 | 3 | 0 | 38 | 262.397 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.48 | 6.51 | -127.24 | 4 | 3 | 2 | 41 | 264.413 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.48 | 4.66 | -39.78 | 3 | 3 | 1 | 40 | 263.405 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
