In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 2009 | 14 | 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) | -0.26 | 2.35 | -151.33 | 6 | 5 | 2 | 101 | 197.238 | 4 | ↓ |
Mid Mid (pH 6-8) | -0.26 | 2.05 | -56.29 | 5 | 5 | 1 | 99 | 196.23 | 4 | ↓ |
Mid Mid (pH 6-8) | -0.26 | 1.98 | -54.03 | 5 | 5 | 1 | 99 | 196.23 | 4 | ↓ |