In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 19 | Yes |
Popular Name: (1R,2R)-1-(4-fluorophenyl)-1-(4-methyl-1,4-diazepan-1-yl)propan-2-amine (1R,2R)-1-(4-fluorophenyl)-1-(4-…
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) | 1.46 | 6.1 | -99.26 | 4 | 3 | 2 | 35 | 267.392 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.46 | 5.41 | -119.8 | 4 | 3 | 2 | 35 | 267.392 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.46 | 4.16 | -45.39 | 3 | 3 | 1 | 34 | 266.384 | 3 | ↓ |