In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 5th, 2010 | 21 | Yes |
Popular Name: 1-[2-oxo-2-[[(1S)-1-(2-thienyl)butyl]amino]ethyl]cyclopentanecarboxylic 1-[2-oxo-2-[[(1S)-1-(2-thienyl)b…
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) | 3.34 | 9.66 | -58.89 | 1 | 4 | -1 | 69 | 308.423 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.34 | 7.2 | -13.85 | 2 | 4 | 0 | 66 | 309.431 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.