In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 23rd, 2005 | 30 | 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) | 0.73 | 3.84 | -17.15 | 4 | 10 | 0 | 134 | 417.466 | 9 | ↓ |
Mid Mid (pH 6-8) | 0.73 | 4.27 | -47.33 | 5 | 10 | 1 | 136 | 418.474 | 9 | ↓ |