In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 6th, 2004 | 32 | Yes |
None
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) | 5.47 | 2.1 | -46.63 | 0 | 7 | -1 | 83 | 422.516 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.06 | 2.26 | -51.67 | 1 | 7 | 0 | 85 | 423.524 | 7 | ↓ |