In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2010 | 13 | Yes |
Popular Name: N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)propan-1-amine N-(6,7-dihydro-5H-pyrrolo[2,1-c]…
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) | 0.42 | 5.53 | -45.89 | 2 | 4 | 1 | 47 | 181.263 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.42 | 4.19 | -10.59 | 1 | 4 | 0 | 43 | 180.255 | 4 | ↓ |