| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2011 | 19 | Yes |
Popular Name: N-[(1S)-1-(3-pyridyl)ethyl]-5,6,7,8-tetrahydrocinnolin-3-amine N-[(1S)-1-(3-pyridyl)ethyl]-5,6,…
| 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) | 2.50 | 6.65 | -30.13 | 2 | 4 | 1 | 52 | 255.345 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.50 | 6.53 | -10.76 | 1 | 4 | 0 | 51 | 254.337 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.50 | 6.7 | -30.08 | 2 | 4 | 1 | 52 | 255.345 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.50 | 7.17 | -83.86 | 3 | 4 | 2 | 53 | 256.353 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
