In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 13th, 2009 | 18 | Yes |
Popular Name: N-(3-amino-3-oxo-propyl)-2-[(2R)-pyrrolidin-2-yl]thiazole-4-carboxamide N-(3-amino-3-oxo-propyl)-2-[(2R)…
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) | -0.82 | -1.64 | -60.71 | 5 | 6 | 1 | 102 | 269.35 | 5 | ↓ |
Hi High (pH 8-9.5) | -0.82 | -3.01 | -17.64 | 4 | 6 | 0 | 97 | 268.342 | 5 | ↓ |