In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 1st, 2009 | 29 | 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) | 1.05 | 9.12 | -111.48 | 3 | 7 | 0 | 102 | 401.438 | 4 | ↓ |
Mid Mid (pH 6-8) | -1.70 | 7.3 | -90.04 | 4 | 7 | 1 | 105 | 402.446 | 3 | ↓ |