In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 6th, 2004 | 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) | 3.43 | -4.01 | -11.4 | 1 | 4 | 0 | 59 | 316.407 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.43 | -3.43 | -45.68 | 0 | 4 | -1 | 61 | 315.399 | 4 | ↓ |