In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 8th, 2004 | 32 | No |
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) | 6.58 | 14.01 | -41.6 | 2 | 4 | 1 | 29 | 491.453 | 3 | ↓ |
Hi High (pH 8-9.5) | 6.58 | 11.79 | -5.34 | 1 | 4 | 0 | 28 | 490.445 | 3 | ↓ |