In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 27th, 2011 | 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) | 2.77 | 2.62 | -9.03 | 2 | 3 | 0 | 50 | 228.247 | 0 | ↓ |
Mid Mid (pH 6-8) | 2.77 | 3.38 | -50.73 | 1 | 3 | -1 | 53 | 227.239 | 0 | ↓ |