In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 23rd, 2010 | 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) | 1.72 | 1.15 | -51.64 | 2 | 4 | -1 | 81 | 193.178 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.72 | -0.85 | -8.95 | 3 | 4 | 0 | 78 | 194.186 | 2 | ↓ |