In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2009 | 18 | 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) | 1.03 | 4.72 | -33.71 | 3 | 3 | 1 | 34 | 244.362 | 1 | ↓ |
Hi High (pH 8-9.5) | 1.03 | 2.56 | -3.09 | 2 | 3 | 0 | 32 | 243.354 | 1 | ↓ |
Mid Mid (pH 6-8) | 1.03 | 4.99 | -35.81 | 3 | 3 | 1 | 34 | 244.362 | 1 | ↓ |
Mid Mid (pH 6-8) | 1.03 | 7.16 | -106.57 | 4 | 3 | 2 | 35 | 245.37 | 1 | ↓ |