In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 27th, 2011 | 21 | 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) | -0.18 | 2.87 | -91.19 | 1 | 7 | -2 | 117 | 312.347 | 7 | ↓ |
Lo Low (pH 4.5-6) | -0.18 | 2.66 | -46.88 | 2 | 7 | -1 | 115 | 313.355 | 7 | ↓ |