In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 30th, 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) | 0.28 | 2.9 | -101.31 | 4 | 3 | 2 | 41 | 186.299 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.28 | 2.29 | -28.9 | 3 | 3 | 1 | 37 | 185.291 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.28 | 1.27 | -36.98 | 3 | 3 | 1 | 40 | 185.291 | 2 | ↓ |