In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 23rd, 2010 | 26 | 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) | 1.66 | 6.04 | -59.28 | 1 | 6 | -1 | 94 | 372.422 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.66 | 5.15 | -12.36 | 2 | 6 | 0 | 91 | 373.43 | 6 | ↓ |