In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 13th, 2010 | 14 | 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) | 0.03 | 4.32 | -182.84 | 6 | 3 | 3 | 49 | 202.366 | 7 | ↓ |
Hi High (pH 8-9.5) | 0.03 | 1.71 | -38.24 | 4 | 3 | 1 | 46 | 200.35 | 7 | ↓ |
Mid Mid (pH 6-8) | 0.03 | 2.09 | -107.26 | 5 | 3 | 2 | 47 | 201.358 | 7 | ↓ |
Mid Mid (pH 6-8) | 0.03 | 2.97 | -84.06 | 5 | 3 | 2 | 44 | 201.358 | 7 | ↓ |