In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 21st, 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) | 4.94 | 10.95 | -36.52 | 1 | 6 | 0 | 67 | 414.575 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.94 | 10.32 | -51.06 | 2 | 6 | 1 | 64 | 415.583 | 6 | ↓ |