In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 26th, 2009 | 15 | 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) | 1.16 | 2.76 | -30.23 | 2 | 3 | 1 | 28 | 213.345 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.16 | 0.53 | -3.02 | 1 | 3 | 0 | 27 | 212.337 | 2 | ↓ |
Lo Low (pH 4.5-6) | 1.16 | 2.74 | -30.21 | 2 | 3 | 1 | 28 | 213.345 | 2 | ↓ |