In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 33 | 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) | -1.51 | 2.01 | -78.47 | 3 | 11 | 0 | 144 | 460.466 | 5 | ↓ |
Hi High (pH 8-9.5) | -1.51 | -0.5 | -53.46 | 2 | 11 | -1 | 143 | 459.458 | 5 | ↓ |
Mid Mid (pH 6-8) | -1.51 | 4.98 | -65.55 | 4 | 11 | 1 | 146 | 461.474 | 5 | ↓ |
Mid Mid (pH 6-8) | -1.51 | 1.39 | -60.47 | 4 | 11 | 1 | 142 | 461.474 | 5 | ↓ |
Lo Low (pH 4.5-6) | -1.51 | 2.84 | -104.94 | 5 | 11 | 2 | 143 | 462.482 | 5 | ↓ |