In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2010 | 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) | 2.32 | 5.49 | -115.59 | 4 | 2 | 2 | 33 | 186.343 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.32 | 4.13 | -35.63 | 3 | 2 | 1 | 29 | 185.335 | 6 | ↓ |