In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 3rd, 2010 | 13 | Yes |
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) | 2.02 | 3.56 | -36.03 | 2 | 2 | 1 | 20 | 183.319 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.02 | 2.06 | -0.67 | 1 | 2 | 0 | 15 | 182.311 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.02 | 4.09 | -29.71 | 2 | 2 | 1 | 16 | 183.319 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.02 | 5.37 | -104.98 | 3 | 2 | 2 | 21 | 184.327 | 3 | ↓ |