In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 1st, 2011 | 20 | 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) | 3.23 | 8.61 | -84.19 | 4 | 4 | 2 | 48 | 278.444 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.23 | 6.4 | -29.64 | 3 | 4 | 1 | 47 | 277.436 | 7 | ↓ |