In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 7th, 2010 | 12 | 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) | 1.04 | 3.36 | -34.66 | 2 | 2 | 1 | 20 | 169.292 | 1 | ↓ |
Hi High (pH 8-9.5) | 1.04 | 4.36 | -26.67 | 2 | 2 | 1 | 16 | 169.292 | 1 | ↓ |
Hi High (pH 8-9.5) | 1.04 | 2.18 | -1.28 | 1 | 2 | 0 | 15 | 168.284 | 1 | ↓ |