In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 17th, 2009 | 33 | 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) | 3.41 | 9.03 | -48.42 | 3 | 7 | 1 | 73 | 475.057 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.41 | 6.72 | -17.42 | 2 | 7 | 0 | 72 | 474.049 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.41 | 9.04 | -52.59 | 3 | 7 | 1 | 73 | 475.057 | 7 | ↓ |