In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 2010 | 21 | 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) | 1.32 | 1.1 | -36.95 | 4 | 5 | 1 | 76 | 304.451 | 10 | ↓ |
Hi High (pH 8-9.5) | 1.32 | -0.07 | -7.23 | 3 | 5 | 0 | 71 | 303.443 | 10 | ↓ |