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) | 1.98 | 5.99 | -121.89 | 4 | 2 | 2 | 32 | 208.349 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.98 | 3.76 | -42.95 | 3 | 2 | 1 | 31 | 207.341 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.98 | 5.61 | -28.76 | 3 | 2 | 1 | 30 | 207.341 | 6 | ↓ |