In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 21st, 2009 | 16 | Yes |
Popular Name: (1R)-1-(5-bromo-2-thienyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine (1R)-1-(5-bromo-2-thienyl)-N-(2-…
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) | 3.32 | 6.91 | -35.67 | 2 | 2 | 1 | 16 | 304.277 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.32 | 4.45 | -2.13 | 1 | 2 | 0 | 15 | 303.269 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.32 | 8.08 | -116.96 | 3 | 2 | 2 | 21 | 305.285 | 5 | ↓ |