In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 15 | 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) | 0.75 | 5.76 | -79.15 | 3 | 3 | 2 | 24 | 215.385 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.75 | 5.9 | -89.08 | 3 | 3 | 2 | 21 | 215.385 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.75 | 7.29 | -174.04 | 4 | 3 | 3 | 25 | 216.393 | 5 | ↓ |