In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2005 | 23 | 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) | 3.65 | 2.16 | -45.44 | 1 | 2 | 1 | 17 | 303.429 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.65 | 2.27 | -109.91 | 2 | 2 | 2 | 18 | 304.437 | 7 | ↓ |