In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2005 | 30 | 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) | 6.40 | 11.27 | -13.01 | 1 | 5 | 0 | 48 | 409.574 | 7 | ↓ |
Mid Mid (pH 6-8) | 6.40 | 11.76 | -21.85 | 2 | 5 | 1 | 49 | 410.582 | 7 | ↓ |