In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 23rd, 2010 | 15 | 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) | 1.90 | 3.75 | -5.79 | 2 | 4 | 0 | 72 | 220.15 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.90 | 4.14 | -52.18 | 3 | 4 | 1 | 73 | 221.158 | 3 | ↓ |