In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 14th, 2010 | 14 | 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) | 0.64 | 3.1 | -83.8 | 4 | 3 | 2 | 36 | 201.358 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.64 | 2.61 | -33.39 | 3 | 3 | 1 | 28 | 200.35 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.64 | 1.86 | -35.57 | 3 | 3 | 1 | 32 | 200.35 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.64 | 3.82 | -100.63 | 4 | 3 | 2 | 33 | 201.358 | 5 | ↓ |