In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 22nd, 2011 | 20 | No |
Popular Name: [3-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-2-pyridyl]hydrazine [3-(3,5-dihydro-2H-1,4-benzoxaze…
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) | 1.30 | 3.97 | -7.97 | 3 | 5 | 0 | 63 | 270.336 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.30 | 6.16 | -41.41 | 4 | 5 | 1 | 65 | 271.344 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.30 | 6.64 | -99.59 | 5 | 5 | 2 | 66 | 272.352 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.30 | 4.46 | -32.35 | 4 | 5 | 1 | 65 | 271.344 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.