In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 26th, 2008 | 22 | Yes |
Popular Name: 2-[(2S)-4-[(2-fluoro-5-methoxy-phenyl)methyl]-1-isopropyl-piperazin-2-yl]ethanol 2-[(2S)-4-[(2-fluoro-5-methoxy-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) | 2.08 | 4.06 | -34.22 | 2 | 4 | 1 | 37 | 311.421 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.08 | 1.88 | -6.67 | 1 | 4 | 0 | 36 | 310.413 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.08 | 4.2 | -36 | 2 | 4 | 1 | 37 | 311.421 | 6 | ↓ |