In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2008 | 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) | 2.76 | 8.6 | -45.83 | 3 | 7 | 1 | 79 | 410.542 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.76 | 6.13 | -12.18 | 2 | 7 | 0 | 78 | 409.534 | 6 | ↓ |