In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 10th, 2009 | 20 | 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) | 2.07 | 7.8 | -93.41 | 3 | 3 | 2 | 24 | 275.44 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.07 | 7.69 | -114.55 | 3 | 3 | 2 | 24 | 275.44 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.07 | 5.42 | -45.33 | 2 | 3 | 1 | 23 | 274.432 | 5 | ↓ |