In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2009 | 33 | 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) | 4.29 | 16.19 | -107.13 | 2 | 5 | 2 | 30 | 455.597 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.29 | 13.78 | -39.16 | 1 | 5 | 1 | 29 | 454.589 | 8 | ↓ |