In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 27th, 2009 | 21 | Yes |
Popular Name: 2-[[(1R)-1-methylpropyl]-[[2-(2-pyridyl)thiazol-4-yl]methyl]amino]acetic 2-[[(1R)-1-methylpropyl]-[[2-(2-…
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) | 1.23 | 8.11 | -41.35 | 1 | 5 | 0 | 70 | 305.403 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.23 | 6.54 | -59.52 | 0 | 5 | -1 | 69 | 304.395 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.