In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 23rd, 2004 | 11 | 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) | -3.00 | 0.52 | -48.66 | 5 | 2 | 1 | 54 | 149.217 | 0 | ↓ |
Hi High (pH 8-9.5) | -3.00 | 0.28 | -3.46 | 4 | 2 | 0 | 52 | 148.209 | 0 | ↓ |
Mid Mid (pH 6-8) | -3.00 | 0.83 | -115.95 | 6 | 2 | 2 | 55 | 150.225 | 0 | ↓ |