In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 31st, 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) | 1.01 | 4.76 | -88.11 | 4 | 4 | 2 | 46 | 208.309 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.01 | 3.47 | -23.34 | 3 | 4 | 1 | 41 | 207.301 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.01 | 3.12 | -5.39 | 2 | 4 | 0 | 40 | 206.293 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.01 | 4.43 | -42.32 | 3 | 4 | 1 | 45 | 207.301 | 3 | ↓ |