In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 25th, 2010 | 15 | 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) | 0.27 | 4.78 | -49.64 | 3 | 4 | 1 | 57 | 207.301 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.27 | 5.28 | -85.79 | 4 | 4 | 2 | 58 | 208.309 | 3 | ↓ |