In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 18th, 2011 | 18 | Yes |
Popular Name: (1S)-1-cyclopropyl-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-methyl-ethanamine (1S)-1-cyclopropyl-2-(3,5-dihydr…
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) | 2.25 | 6.18 | -42.14 | 2 | 3 | 1 | 29 | 247.362 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.25 | 7.86 | -115.35 | 3 | 3 | 2 | 30 | 248.37 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.