In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 8th, 2009 | 27 | 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) | 2.30 | 6.86 | -24.98 | 2 | 6 | 0 | 93 | 368.385 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.05 | 5.51 | -52.4 | 2 | 6 | -1 | 99 | 367.377 | 7 | ↓ |