In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2009 | 21 | Yes |
Popular Name: (2R)-2-(4-isopropylpiperazin-1-yl)-2-methyl-4-phenyl-butan-1-amine (2R)-2-(4-isopropylpiperazin-1-y…
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) | 2.47 | 7.05 | -101.36 | 4 | 3 | 2 | 35 | 291.483 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.47 | 4.85 | -46.56 | 3 | 3 | 1 | 34 | 290.475 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.47 | 6.76 | -127.54 | 4 | 3 | 2 | 35 | 291.483 | 6 | ↓ |