In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 2nd, 2008 | 18 | 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) | 0.80 | 0.66 | -44.36 | 2 | 5 | -1 | 87 | 266.277 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.80 | 0.59 | -11.61 | 3 | 5 | 0 | 85 | 267.285 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.80 | 1.04 | -43.67 | 4 | 5 | 1 | 86 | 268.293 | 3 | ↓ |