In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 37 | No |
None
None
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) | 3.20 | 5.94 | -12.16 | 0 | 9 | 0 | 83 | 510.587 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.20 | 8.8 | -56.66 | 1 | 9 | 1 | 84 | 511.595 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.20 | 8.21 | -50.48 | 1 | 9 | 1 | 84 | 511.595 | 8 | ↓ |
Lo Low (pH 4.5-6) | 3.20 | 11.07 | -130.93 | 2 | 9 | 2 | 85 | 512.603 | 8 | ↓ |