In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2008 | 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) | 2.08 | 3.69 | -43.23 | 3 | 3 | 1 | 40 | 300.22 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.08 | 3.37 | -4 | 2 | 3 | 0 | 38 | 299.212 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.08 | 5.59 | -36.03 | 3 | 3 | 1 | 40 | 300.22 | 4 | ↓ |