In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 6th, 2008 | 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) | 0.20 | 1.24 | -44.49 | 3 | 4 | 1 | 51 | 214.333 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.20 | 0.9 | -8.49 | 2 | 4 | 0 | 50 | 213.325 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.20 | 3.56 | -100.25 | 4 | 4 | 2 | 52 | 215.341 | 4 | ↓ |