In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2005 | 28 | 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) | 3.58 | 1.62 | -12.4 | 1 | 5 | 0 | 60 | 373.456 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.58 | 1.74 | -46.43 | 2 | 5 | 1 | 61 | 374.464 | 5 | ↓ |