In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 20th, 2008 | 29 | 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) | 3.38 | 8.86 | -38.36 | 0 | 7 | -1 | 103 | 410.454 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.38 | 8.79 | -22.42 | 1 | 7 | 0 | 101 | 411.462 | 4 | ↓ |