In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 8th, 2010 | 17 | No |
None
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) | 3.21 | 7.75 | -6.59 | 0 | 3 | 0 | 42 | 243.335 | 2 | ↓ |
Hi High (pH 8-9.5) | 3.21 | 8.29 | -38.81 | 0 | 3 | -1 | 42 | 242.327 | 2 | ↓ |