In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 11th, 2009 | 15 | No |
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) | 2.18 | 7.07 | -39.65 | 1 | 3 | 1 | 21 | 246.787 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.18 | 4.84 | -5.27 | 0 | 3 | 0 | 19 | 245.779 | 3 | ↓ |