In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 9th, 2009 | 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) | 1.84 | 9.15 | -24.29 | 1 | 7 | 0 | 86 | 382.464 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.30 | 6.73 | -55.23 | 0 | 7 | -1 | 89 | 381.456 | 5 | ↓ |