In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 13th, 2009 | 13 | 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) | -0.55 | 1.88 | -70.06 | 3 | 4 | 0 | 71 | 186.255 | 3 | ↓ |
Mid Mid (pH 6-8) | -0.55 | 3.32 | -42.32 | 3 | 4 | 0 | 71 | 186.255 | 3 | ↓ |
Lo Low (pH 4.5-6) | -0.55 | 3.64 | -106.31 | 4 | 4 | 1 | 72 | 187.263 | 3 | ↓ |