In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 18th, 2008 | 36 | No |
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) | 6.15 | 15.8 | -55.19 | 0 | 7 | -1 | 93 | 501.584 | 8 | ↓ |
Ref Reference (pH 7) | 6.15 | 14.31 | -56.88 | 0 | 7 | -1 | 93 | 501.584 | 8 | ↓ |
Lo Low (pH 4.5-6) | 6.15 | 14.88 | -61.85 | 1 | 7 | 0 | 95 | 502.592 | 8 | ↓ |
Lo Low (pH 4.5-6) | 6.15 | 16.16 | -59.97 | 1 | 7 | 0 | 95 | 502.592 | 8 | ↓ |