In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 6th, 2009 | 38 | 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 |
---|---|---|---|---|---|---|---|---|---|---|
Hi High (pH 8-9.5) | -5.28 | -2.32 | -122.9 | 14 | 15 | 1 | 276 | 542.662 | 17 | ↓ |
Hi High (pH 8-9.5) | -5.28 | -2 | -175.06 | 15 | 15 | 2 | 278 | 543.67 | 17 | ↓ |
Hi High (pH 8-9.5) | -5.28 | -1.15 | -164.04 | 15 | 15 | 2 | 281 | 543.67 | 17 | ↓ |
Mid Mid (pH 6-8) | -5.29 | 0.29 | -227.39 | 16 | 15 | 3 | 282 | 544.678 | 17 | ↓ |