In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 31st, 2009 | 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) | -4.91 | -4.74 | -368.23 | 15 | 10 | 5 | 143 | 435.73 | 0 | ↓ |
Hi High (pH 8-9.5) | -4.91 | -11.61 | -40.64 | 11 | 10 | 1 | 125 | 431.698 | 0 | ↓ |
Mid Mid (pH 6-8) | -4.91 | -7.54 | -251.52 | 14 | 10 | 4 | 139 | 434.722 | 0 | ↓ |
Mid Mid (pH 6-8) | -4.91 | -7.49 | -248.19 | 14 | 10 | 4 | 139 | 434.722 | 0 | ↓ |