| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2009 | 18 | Yes |
Popular Name: (8R,9S)-N8-cyclopropyl-N8-ethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-8,9-diamine (8R,9S)-N8-cyclopropyl-N8-ethyl-…
| 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) | 0.97 | 8.11 | -113.63 | 4 | 2 | 2 | 32 | 246.398 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.97 | 6.06 | -38.12 | 3 | 2 | 1 | 31 | 245.39 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.97 | 8.11 | -31.8 | 3 | 2 | 1 | 30 | 245.39 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
