In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2009 | 15 | 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) | 0.83 | 6.54 | -42.62 | 1 | 3 | 1 | 41 | 204.297 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.83 | 4.76 | -8.48 | 0 | 3 | 0 | 40 | 203.289 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.83 | 5.23 | -33.57 | 1 | 3 | 1 | 41 | 204.297 | 5 | ↓ |