In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 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) | 4.29 | 6.49 | -5.21 | 2 | 3 | 0 | 35 | 302.805 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.29 | 7.25 | -39.21 | 1 | 3 | -1 | 38 | 301.797 | 4 | ↓ |