In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 13th, 2008 | 23 | Yes |
Popular Name: 2-[4-[1-[(2-bromophenyl)methyl]-4-piperidyl]piperazin-1-yl]ethanol 2-[4-[1-[(2-bromophenyl)methyl]-…
None
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) | 2.18 | 6.76 | -102.24 | 3 | 4 | 2 | 32 | 384.362 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.18 | 1.89 | -5 | 1 | 4 | 0 | 30 | 382.346 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.18 | 4.52 | -36.18 | 2 | 4 | 1 | 31 | 383.354 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.18 | 6.92 | -79.78 | 3 | 4 | 2 | 32 | 384.362 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.18 | 4.3 | -34.54 | 2 | 4 | 1 | 31 | 383.354 | 5 | ↓ |