In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 12th, 2004 | 28 | 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) | -0.66 | 7.16 | -30.35 | 1 | 12 | 0 | 152 | 394.34 | 8 | ↓ |
Hi High (pH 8-9.5) | -0.21 | 5.06 | -65.01 | 0 | 12 | -1 | 155 | 393.332 | 8 | ↓ |