In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 36 | 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) | 5.09 | 13.56 | -14.95 | 1 | 5 | 0 | 62 | 510.053 | 10 | ↓ |
Lo Low (pH 4.5-6) | 5.09 | 14.02 | -47.24 | 2 | 5 | 1 | 64 | 511.061 | 10 | ↓ |