In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 22nd, 2010 | 32 | 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) | 2.35 | 7.21 | -62.16 | 0 | 8 | -1 | 97 | 436.44 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.35 | 6.46 | -16.45 | 1 | 8 | 0 | 95 | 437.448 | 7 | ↓ |