In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 20 | 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 | 3.33 | -104.55 | 5 | 5 | 2 | 74 | 281.4 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.01 | 2.8 | -54.21 | 4 | 5 | 1 | 73 | 280.392 | 6 | ↓ |