In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 23rd, 2009 | 18 | Yes |
Popular Name: 3-[[(R)-(1-methylimidazol-2-yl)-(2-thienyl)methyl]amino]propanoic 3-[[(R)-(1-methylimidazol-2-yl)-…
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) | 0.85 | 6.16 | -54.01 | 2 | 5 | 0 | 71 | 265.338 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.85 | 5.48 | -49.51 | 1 | 5 | -1 | 70 | 264.33 | 6 | ↓ |
Lo Low (pH 4.5-6) | 0.85 | 6.54 | -46.7 | 2 | 5 | 0 | 75 | 265.338 | 6 | ↓ |