In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 8th, 2009 | 16 | 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) | 1.77 | 2.38 | -16.31 | 2 | 5 | 0 | 75 | 220.228 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.23 | 0.63 | -57.28 | 1 | 5 | -1 | 78 | 219.22 | 3 | ↓ |