In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 22nd, 2011 | 17 | Yes |
Popular Name: 4-[(3R)-3-piperidyl]-3,5-dihydro-2H-1,4-benzoxazepine 4-[(3R)-3-piperidyl]-3,5-dihydro…
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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) | 1.44 | 4.82 | -32.56 | 2 | 3 | 1 | 26 | 233.335 | 1 | ↓ |
Hi High (pH 8-9.5) | 1.44 | 4.03 | -43.69 | 2 | 3 | 1 | 29 | 233.335 | 1 | ↓ |
Hi High (pH 8-9.5) | 1.44 | 2.64 | -3.72 | 1 | 3 | 0 | 24 | 232.327 | 1 | ↓ |
Lo Low (pH 4.5-6) | 1.44 | 6.17 | -111.97 | 3 | 3 | 2 | 30 | 234.343 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.