In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 26th, 2010 | 18 | 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) | 1.12 | 3.88 | -35.15 | 2 | 4 | 1 | 43 | 254.35 | 9 | ↓ |
Hi High (pH 8-9.5) | 1.12 | 1.57 | -6.91 | 1 | 4 | 0 | 42 | 253.342 | 9 | ↓ |