In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 24th, 2007 | 32 | 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) | 3.18 | 7.46 | -47.56 | 3 | 7 | 1 | 92 | 459.95 | 9 | ↓ |
Mid Mid (pH 6-8) | 2.59 | 8.16 | -56.22 | 2 | 7 | 1 | 88 | 459.95 | 9 | ↓ |