In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2009 | 20 | Yes |
Popular Name: (3S,4R)-3-(4-isopropylpiperazin-1-yl)chroman-4-amine (3S,4R)-3-(4-isopropylpiperazin-…
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) | -0.12 | 3.51 | -33.96 | 3 | 4 | 1 | 43 | 276.404 | 2 | ↓ |
Hi High (pH 8-9.5) | -0.12 | 1.81 | -44.46 | 3 | 4 | 1 | 43 | 276.404 | 2 | ↓ |
Hi High (pH 8-9.5) | -0.12 | 1.3 | -3.35 | 2 | 4 | 0 | 42 | 275.396 | 2 | ↓ |
Mid Mid (pH 6-8) | -0.12 | 4.32 | -34.27 | 3 | 4 | 1 | 43 | 276.404 | 2 | ↓ |