| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 21st, 2011 | 19 | Yes |
Popular Name: (8S,9S)-N8-(cyclopropylmethyl)-N8-ethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-8,9-diamine (8S,9S)-N8-(cyclopropylmethyl)-N…
| 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) | 1.47 | 8.92 | -122.33 | 4 | 2 | 2 | 32 | 260.425 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.47 | 7.18 | -1.53 | 2 | 2 | 0 | 29 | 258.409 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.47 | 8.69 | -31.37 | 3 | 2 | 1 | 30 | 259.417 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
