In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 3rd, 2004 | 19 | 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) | 2.98 | 7.49 | -33.55 | 2 | 3 | 1 | 35 | 268.262 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.98 | 6.58 | -11.15 | 1 | 3 | 0 | 33 | 267.254 | 2 | ↓ |