In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 23rd, 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) | 6.59 | 13.99 | -59.26 | 0 | 7 | -1 | 88 | 522.662 | 15 | ↓ |
Lo Low (pH 4.5-6) | 6.59 | 13.24 | -15.13 | 1 | 7 | 0 | 85 | 523.67 | 15 | ↓ |