In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 23rd, 2008 | 16 | 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) | 3.87 | 7.05 | -35.36 | 2 | 2 | 1 | 20 | 229.432 | 10 | ↓ |
Hi High (pH 8-9.5) | 3.87 | 7.75 | -31.92 | 2 | 2 | 1 | 16 | 229.432 | 10 | ↓ |
Mid Mid (pH 6-8) | 3.87 | 9.13 | -119.28 | 3 | 2 | 2 | 21 | 230.44 | 10 | ↓ |