In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2008 | 15 | 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) | 0.53 | 3.25 | -38.86 | 2 | 3 | 1 | 33 | 206.313 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.53 | 2.02 | -4.07 | 1 | 3 | 0 | 28 | 205.305 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.53 | 3.47 | -87.77 | 3 | 3 | 2 | 34 | 207.321 | 2 | ↓ |