In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 8th, 2011 | 28 | Yes |
None
None
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) | 2.36 | 6.69 | -53.7 | 4 | 7 | 1 | 97 | 395.568 | 9 | ↓ |
Mid Mid (pH 6-8) | 2.36 | 4.52 | -21.2 | 3 | 7 | 0 | 96 | 394.56 | 9 | ↓ |