In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2009 | 14 | 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) | 3.13 | 1.68 | -6.7 | 2 | 3 | 0 | 60 | 294.974 | 1 | ↓ |
Hi High (pH 8-9.5) | 3.13 | 2.16 | -35.14 | 1 | 3 | -1 | 58 | 293.966 | 1 | ↓ |