In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 10th, 2010 | 20 | Yes |
Popular Name: (1S,2S)-1-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(3-methyl-2-thienyl)propan-2-amine (1S,2S)-1-[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) | 2.17 | 6.36 | -91.87 | 4 | 3 | 2 | 35 | 295.496 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.17 | 4.11 | -39.88 | 3 | 3 | 1 | 34 | 294.488 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.17 | 3.8 | -1.73 | 2 | 3 | 0 | 32 | 293.48 | 5 | ↓ |