In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 26th, 2008 | 27 | Yes |
Popular Name: (4-ethylpiperazin-1-yl)-[(5S,7R)-3-(p-tolyl)-1-adamantyl]methanone (4-ethylpiperazin-1-yl)-[(5S,7R)…
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) | 4.43 | 10.12 | -7.67 | 0 | 3 | 0 | 24 | 366.549 | 3 | ↓ |
Mid Mid (pH 6-8) | 4.43 | 12.42 | -47.52 | 1 | 3 | 1 | 25 | 367.557 | 3 | ↓ |