In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2008 | 26 | 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) | 2.13 | 6.19 | -25.64 | 1 | 8 | 0 | 103 | 390.494 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.31 | 5.11 | -54.22 | 0 | 8 | -1 | 109 | 389.486 | 4 | ↓ |