In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 20 | Yes |
Popular Name: (3S,4R)-3-[4-(cyclopropylmethyl)piperazin-1-yl]-N-propyl-tetrahydropyran-4-amine (3S,4R)-3-[4-(cyclopropylmethyl)…
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) | 1.86 | 5.96 | -95.84 | 3 | 4 | 2 | 34 | 283.46 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.86 | 3.7 | -36.51 | 2 | 4 | 1 | 32 | 282.452 | 6 | ↓ |