In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 30th, 2008 | 24 | Yes |
Popular Name: 2-[(2S)-4-benzyl-1-(p-tolylmethyl)piperazin-2-yl]ethanol 2-[(2S)-4-benzyl-1-(p-tolylmethy…
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) | 3.11 | 7.95 | -39.68 | 2 | 3 | 1 | 28 | 325.476 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.11 | 7.8 | -35.3 | 2 | 3 | 1 | 28 | 325.476 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.11 | 5.67 | -4.97 | 1 | 3 | 0 | 27 | 324.468 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.