In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 6th, 2008 | 13 | 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) | 0.90 | 3.12 | -100.33 | 4 | 3 | 2 | 41 | 188.315 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.90 | 1.62 | -36.09 | 3 | 3 | 1 | 37 | 187.307 | 4 | ↓ |