In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 20 | Yes |
Popular Name: 1-[2-[methyl-[(1S)-1-(2-thienyl)ethyl]amino]-2-oxo-ethyl]cyclopentanecarboxylic 1-[2-[methyl-[(1S)-1-(2-thienyl)…
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) | 2.52 | 9.56 | -60.59 | 0 | 4 | -1 | 60 | 294.396 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.52 | 7.13 | -13.99 | 1 | 4 | 0 | 58 | 295.404 | 5 | ↓ |