In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 16th, 2004 | 22 | 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) | 2.86 | 6.71 | -14.57 | 2 | 5 | 0 | 71 | 301.321 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.86 | 6.54 | -32.36 | 3 | 5 | 1 | 72 | 302.329 | 5 | ↓ |