In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2011 | 28 | 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) | 1.31 | 4.3 | -64.21 | 4 | 6 | 1 | 83 | 385.484 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.31 | 2.51 | -19.73 | 3 | 6 | 0 | 82 | 384.476 | 3 | ↓ |