In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 23rd, 2009 | 25 | 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) | 2.88 | 9.45 | -45.4 | 1 | 5 | 1 | 37 | 368.929 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.88 | 11.53 | -115.14 | 2 | 5 | 2 | 38 | 369.937 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.88 | 9.06 | -48.45 | 1 | 5 | 1 | 37 | 368.929 | 7 | ↓ |