In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 4th, 2010 | 43 | No |
None
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) | 2.28 | -8.05 | -21.97 | 10 | 13 | 0 | 230 | 592.509 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.28 | -7.29 | -67.71 | 9 | 13 | -1 | 233 | 591.501 | 2 | ↓ |