In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 5th, 2004 | 24 | 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) | 2.42 | 5.48 | -51.87 | 2 | 6 | 1 | 63 | 332.376 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.42 | 4.09 | -10.96 | 1 | 6 | 0 | 58 | 331.368 | 7 | ↓ |