In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2008 | 34 | 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) | 4.29 | 6.09 | -54.46 | 3 | 9 | 1 | 103 | 478.451 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.29 | 3.59 | -16.02 | 2 | 9 | 0 | 102 | 477.443 | 7 | ↓ |