In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2010 | 23 | 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) | 4.50 | 8.26 | -56.14 | 2 | 5 | 0 | 76 | 308.337 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.50 | 7.81 | -52.26 | 1 | 5 | -1 | 74 | 307.329 | 4 | ↓ |