In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 23rd, 2004 | 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) | 3.41 | 7.93 | -10.98 | 0 | 4 | 0 | 52 | 300.383 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.41 | 8.37 | -31.53 | 1 | 4 | 1 | 53 | 301.391 | 3 | ↓ |