In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 17th, 2010 | 14 | Yes |
None
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) | -1.35 | 4.5 | -37.97 | 3 | 4 | 0 | 71 | 200.282 | 4 | ↓ |
Hi High (pH 8-9.5) | -1.35 | 2.56 | -43.95 | 2 | 4 | -1 | 69 | 199.274 | 4 | ↓ |
Mid Mid (pH 6-8) | -1.35 | 4.91 | -80.81 | 4 | 4 | 1 | 72 | 201.29 | 4 | ↓ |