In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 4th, 2010 | 38 | 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) | 3.30 | 7.71 | -62.64 | 0 | 9 | -1 | 116 | 541.646 | 10 | ↓ |
Lo Low (pH 4.5-6) | 3.30 | 6.95 | -18.7 | 1 | 9 | 0 | 113 | 542.654 | 10 | ↓ |