In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 3rd, 2010 | 35 | 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) | 1.64 | 6.8 | -77.64 | 3 | 8 | 1 | 93 | 494.538 | 7 | ↓ |
Lo Low (pH 4.5-6) | 1.64 | 6.93 | -117.01 | 4 | 8 | 2 | 94 | 495.546 | 7 | ↓ |