In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 13 | 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) | 2.14 | 6.95 | -33.9 | 1 | 2 | 1 | 22 | 198.311 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.14 | 4.93 | -6.73 | 0 | 2 | 0 | 20 | 197.303 | 5 | ↓ |