In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 15th, 2011 | 23 | Yes |
Popular Name: 4-(3-methoxypropyl)-7-(5-methyl-2-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-9-ol 4-(3-methoxypropyl)-7-(5-methyl-…
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) | 3.12 | 7.36 | -41.28 | 2 | 4 | 1 | 43 | 334.461 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.12 | 5.28 | -7.47 | 1 | 4 | 0 | 42 | 333.453 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.