In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 22nd, 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) | 3.64 | 9.91 | -48.25 | 1 | 3 | 1 | 23 | 385.228 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.64 | 7.65 | -8.62 | 0 | 3 | 0 | 22 | 384.22 | 4 | ↓ |