In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 17 | 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) | 2.24 | 4.04 | -37.82 | 2 | 3 | 1 | 29 | 239.383 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.24 | 5.85 | -113.09 | 3 | 3 | 2 | 30 | 240.391 | 2 | ↓ |