In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 19th, 2011 | 19 | Yes |
Popular Name: (9R)-9-(6-methyl-3-pyridyl)-5,6,7,8-tetrahydrobenzo[7]annulen-9-amine (9R)-9-(6-methyl-3-pyridyl)-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) | 3.07 | 6.28 | -44.38 | 3 | 2 | 1 | 41 | 253.369 | 1 | ↓ |
Hi High (pH 8-9.5) | 3.07 | 6.84 | -4.61 | 2 | 2 | 0 | 39 | 252.361 | 1 | ↓ |
Lo Low (pH 4.5-6) | 3.07 | 6.71 | -108.51 | 4 | 2 | 2 | 42 | 254.377 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.