In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2008 | 20 | Yes |
Popular Name: (2S)-2-[(5-bromopyridine-3-carbonyl)amino]-3-(1H-imidazol-4-yl)propanoic (2S)-2-[(5-bromopyridine-3-carbo…
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) | -1.34 | 3.71 | -50.88 | 2 | 7 | -1 | 111 | 338.141 | 5 | ↓ |
Mid Mid (pH 6-8) | -1.34 | 4.22 | -65.3 | 3 | 7 | 0 | 112 | 339.149 | 5 | ↓ |
Mid Mid (pH 6-8) | -1.34 | 4.79 | -59.57 | 2 | 7 | -1 | 111 | 338.141 | 5 | ↓ |