In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 26th, 2009 | 28 | 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) | 2.17 | 0.14 | -53.47 | 1 | 9 | -1 | 118 | 380.384 | 4 | ↓ |
Ref Reference (pH 7) | 1.99 | 2.89 | -48.41 | 1 | 9 | -1 | 114 | 380.384 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.72 | 2.03 | -13.19 | 2 | 9 | 0 | 115 | 381.392 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.53 | 4.7 | -12.39 | 2 | 9 | 0 | 111 | 381.392 | 4 | ↓ |