In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2010 | 17 | 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) | 1.69 | 5.72 | -51.88 | 2 | 3 | 1 | 33 | 232.282 | 1 | ↓ |
Hi High (pH 8-9.5) | 1.69 | 4.24 | -6.81 | 1 | 3 | 0 | 28 | 231.274 | 1 | ↓ |
Mid Mid (pH 6-8) | 1.69 | 6.15 | -90.76 | 3 | 3 | 2 | 34 | 233.29 | 1 | ↓ |