In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2009 | 14 | Yes |
Popular Name: N-[(1S)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]propan-1-amine N-[(1S)-1-(6,7-dihydro-5H-pyrrol…
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) | 0.98 | 5.87 | -40.75 | 2 | 4 | 1 | 47 | 195.29 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.98 | 4.71 | -11.8 | 1 | 4 | 0 | 43 | 194.282 | 4 | ↓ |