In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2011 | 19 | Yes |
Popular Name: (R)-(9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-[(2S)-pyrrolidin-2-yl]methanol (R)-(9-chloro-3,4-dihydro-2H-1,5…
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) | 1.88 | 3.57 | -45.32 | 3 | 4 | 1 | 55 | 284.763 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.88 | 2.41 | -6.23 | 2 | 4 | 0 | 51 | 283.755 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.