In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 9th, 2004 | 15 | 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) | 1.99 | 4.23 | -9.18 | 1 | 3 | 0 | 50 | 197.193 | 0 | ↓ |
Hi High (pH 8-9.5) | 2.45 | 2.27 | -47.64 | 0 | 3 | -1 | 53 | 196.185 | 0 | ↓ |