In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 22nd, 2010 | 16 | Yes |
Popular Name: (2S)-2-methyl-2-[[(1R)-1-(2-thienyl)ethyl]amino]pentanoic (2S)-2-methyl-2-[[(1R)-1-(2-thie…
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) | 1.09 | 6.84 | -27.84 | 2 | 3 | 0 | 57 | 241.356 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.09 | 6.11 | -45.75 | 1 | 3 | -1 | 52 | 240.348 | 6 | ↓ |