In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2008 | 36 | No |
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) | 2.73 | 7.26 | -64.88 | 0 | 9 | -1 | 108 | 493.536 | 10 | ↓ |
Mid Mid (pH 6-8) | 2.73 | 9.52 | -77.06 | 1 | 9 | 0 | 110 | 494.544 | 10 | ↓ |
Lo Low (pH 4.5-6) | 2.73 | 8.76 | -54.64 | 2 | 9 | 1 | 107 | 495.552 | 10 | ↓ |