In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 22nd, 2011 | 20 | Yes |
Popular Name: N-[(4S)-4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pentyl]cyclopropanamine N-[(4S)-4-(3,5-dihydro-2H-1,4-be…
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) | 2.63 | 8.95 | -98.92 | 3 | 3 | 2 | 30 | 276.424 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.63 | 7.24 | -37.8 | 2 | 3 | 1 | 29 | 275.416 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.