In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2008 | 23 | 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) | -0.36 | 3.55 | -49.73 | 4 | 7 | 1 | 87 | 340.473 | 7 | ↓ |
Hi High (pH 8-9.5) | -0.35 | 2.18 | -9.13 | 3 | 7 | 0 | 82 | 339.465 | 7 | ↓ |