In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 24th, 2008 | 22 | Yes |
Popular Name: (3S,4S)-1-[[4-(3-hydroxyprop-1-ynyl)-2-thienyl]methyl]-4-morpholino-pyrrolidin-3-ol (3S,4S)-1-[[4-(3-hydroxyprop-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) | 0.22 | 0.13 | -50.17 | 3 | 5 | 1 | 57 | 323.438 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.22 | -2.41 | -12.37 | 2 | 5 | 0 | 56 | 322.43 | 3 | ↓ |