In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 16 | Yes |
Popular Name: 4-[[(1S)-1-(5-chloro-2-thienyl)ethyl]amino]-4-oxo-butanoic 4-[[(1S)-1-(5-chloro-2-thienyl)e…
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) | 1.86 | 5.57 | -43.71 | 1 | 4 | -1 | 69 | 260.722 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.86 | 3.6 | -7.26 | 2 | 4 | 0 | 66 | 261.73 | 5 | ↓ |