In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 15 | 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) | 0.32 | 6.05 | -117.09 | 4 | 2 | 2 | 32 | 206.333 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.32 | 3.12 | -2.24 | 2 | 2 | 0 | 29 | 204.317 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.32 | 5.76 | -33.78 | 3 | 2 | 1 | 30 | 205.325 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.32 | 3.42 | -42.81 | 3 | 2 | 1 | 31 | 205.325 | 3 | ↓ |