In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 14th, 2009 | 35 | 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) | 0.04 | 0.27 | -12.58 | 1 | 9 | 0 | 78 | 494.608 | 10 | ↓ |
Mid Mid (pH 6-8) | 0.04 | 2.57 | -49.56 | 2 | 9 | 1 | 79 | 495.616 | 10 | ↓ |
Mid Mid (pH 6-8) | 0.04 | 2.54 | -43.19 | 2 | 9 | 1 | 79 | 495.616 | 10 | ↓ |
Lo Low (pH 4.5-6) | 0.04 | 4.83 | -89.22 | 3 | 9 | 2 | 80 | 496.624 | 10 | ↓ |