In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 19th, 2009 | 20 | Yes |
Popular Name: 4-[[5-[[(1S)-1-(hydroxymethyl)propyl]amino]-2-pyridyl]amino]-4-oxo-butanoic 4-[[5-[[(1S)-1-(hydroxymethyl)pr…
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) | 0.93 | 1.51 | -58.11 | 3 | 7 | -1 | 114 | 280.304 | 8 | ↓ |
Lo Low (pH 4.5-6) | 0.93 | 0.39 | -18.74 | 4 | 7 | 0 | 112 | 281.312 | 8 | ↓ |