In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 9th, 2004 | 20 | No |
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) | 2.55 | 8.74 | -37.59 | 1 | 4 | 1 | 44 | 269.324 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.55 | 6.34 | -10.68 | 0 | 4 | 0 | 42 | 268.316 | 2 | ↓ |