In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2011 | 14 | 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) | 2.91 | 7.13 | -40.36 | 1 | 2 | 1 | 22 | 198.33 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.29 | 6.05 | -24.62 | 1 | 2 | 0 | 27 | 197.322 | 2 | ↓ |