In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2011 | 21 | Yes |
Popular Name: (2S,4R)-4-(4-tert-butylpiperazin-1-yl)-2-methyl-2-(propylamino)pentan-1-ol (2S,4R)-4-(4-tert-butylpiperazin…
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) | 2.48 | 5.96 | -82.94 | 4 | 4 | 2 | 45 | 301.519 | 8 | ↓ |
Hi High (pH 8-9.5) | 2.48 | 3.82 | -31.21 | 3 | 4 | 1 | 43 | 300.511 | 8 | ↓ |