In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 21 | 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) | 2.98 | 8.04 | -27.92 | 2 | 4 | 1 | 35 | 299.479 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.98 | 4.32 | -2.26 | 1 | 4 | 0 | 34 | 298.471 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.98 | 5.98 | -33.81 | 2 | 4 | 1 | 38 | 299.479 | 6 | ↓ |