In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 14th, 2009 | 52 | 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) | 6.63 | 16.6 | -307.99 | 11 | 8 | 5 | 115 | 704.044 | 23 | ↓ |
Hi High (pH 8-9.5) | 6.63 | 14.34 | -151.51 | 9 | 8 | 3 | 113 | 702.028 | 23 | ↓ |
Hi High (pH 8-9.5) | 6.63 | 13.94 | -117.04 | 8 | 8 | 2 | 112 | 701.02 | 23 | ↓ |
Hi High (pH 8-9.5) | 6.63 | 14.74 | -192.96 | 10 | 8 | 4 | 114 | 703.036 | 23 | ↓ |
Mid Mid (pH 6-8) | 6.63 | 18.57 | -454.41 | 12 | 8 | 6 | 116 | 705.052 | 23 | ↓ |
Mid Mid (pH 6-8) | 6.63 | 18.19 | -330.93 | 11 | 8 | 5 | 115 | 704.044 | 23 | ↓ |