In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 22nd, 2011 | 19 | Yes |
Popular Name: [1-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)cyclopentyl]methanol [1-(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) | 2.46 | 6.05 | -37.35 | 2 | 3 | 1 | 34 | 262.373 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.46 | 4.63 | -4.63 | 1 | 3 | 0 | 33 | 261.365 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.