In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 13th, 2009 | 16 | 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) | 1.30 | 5.21 | -91.99 | 4 | 3 | 2 | 45 | 235.356 | 1 | ↓ |
Hi High (pH 8-9.5) | 1.30 | 4.73 | -46.25 | 3 | 3 | 1 | 44 | 234.348 | 1 | ↓ |