In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2008 | 24 | Yes |
Popular Name: 2-[(2S)-4-[[4-(difluoromethoxy)phenyl]methyl]-1-isobutyl-piperazin-2-yl]ethanol 2-[(2S)-4-[[4-(difluoromethoxy)p…
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) | 2.99 | 4.5 | -38.16 | 2 | 4 | 1 | 37 | 343.438 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.99 | 2.22 | -8.04 | 1 | 4 | 0 | 36 | 342.43 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.99 | 4.62 | -45.16 | 2 | 4 | 1 | 37 | 343.438 | 8 | ↓ |