In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 2009 | 10 | 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) | 0.76 | 3.23 | -31.62 | 1 | 2 | 1 | 8 | 143.254 | 1 | ↓ |
Hi High (pH 8-9.5) | 0.76 | 0.66 | -1.18 | 0 | 2 | 0 | 6 | 142.246 | 1 | ↓ |
Mid Mid (pH 6-8) | 0.76 | 3.28 | -31.54 | 1 | 2 | 1 | 8 | 143.254 | 1 | ↓ |
Mid Mid (pH 6-8) | 0.76 | 5.67 | -95.33 | 2 | 2 | 2 | 9 | 144.262 | 1 | ↓ |