In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 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) | 1.64 | 2.64 | -57.74 | 3 | 5 | 1 | 74 | 311.427 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.64 | 2.24 | -8.66 | 2 | 5 | 0 | 73 | 310.419 | 3 | ↓ |