In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 16th, 2009 | 26 | Yes |
None
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) | 3.05 | 3.21 | -56.09 | 1 | 7 | -1 | 99 | 348.386 | 3 | ↓ |
Ref Reference (pH 7) | 2.86 | 5.9 | -53.26 | 1 | 7 | -1 | 96 | 348.386 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.59 | 5.08 | -13.66 | 2 | 7 | 0 | 96 | 349.394 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.40 | 7.72 | -14.47 | 2 | 7 | 0 | 93 | 349.394 | 3 | ↓ |