In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 12th, 2004 | 29 | No |
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) | 4.98 | 9.35 | -49.04 | 1 | 7 | -1 | 104 | 431.877 | 7 | ↓ |
Ref Reference (pH 7) | 4.98 | 9.76 | -48.99 | 1 | 7 | -1 | 104 | 431.877 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.49 | 8.43 | -90.7 | 0 | 7 | -2 | 103 | 430.869 | 8 | ↓ |