In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 23rd, 2010 | 16 | 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) | 2.76 | 6.52 | -17.88 | 1 | 3 | 0 | 42 | 213.215 | 1 | ↓ |
Mid Mid (pH 6-8) | 2.76 | 6.71 | -27.97 | 2 | 3 | 1 | 43 | 214.223 | 1 | ↓ |