In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 25th, 2009 | 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) | 1.43 | 1.4 | -11.71 | 3 | 6 | 0 | 91 | 308.359 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.43 | 1.52 | -47.47 | 2 | 6 | -1 | 93 | 307.351 | 5 | ↓ |