In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 7th, 2009 | 14 | No |
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) | -2.15 | -0.77 | -49.16 | 3 | 6 | 1 | 90 | 197.218 | 2 | ↓ |
Hi High (pH 8-9.5) | -1.96 | -1.93 | -40.98 | 1 | 6 | -1 | 92 | 195.202 | 2 | ↓ |
Mid Mid (pH 6-8) | -2.15 | -1.99 | -8.56 | 2 | 6 | 0 | 85 | 196.21 | 2 | ↓ |