In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 7th, 2005 | 41 | No |
None
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) | -2.16 | -15.09 | -25.16 | 11 | 15 | 0 | 271 | 580.495 | 4 | ↓ |
Hi High (pH 8-9.5) | -2.16 | -14.09 | -75.21 | 10 | 15 | -1 | 274 | 579.487 | 4 | ↓ |
Hi High (pH 8-9.5) | -2.16 | -14.18 | -67.64 | 10 | 15 | -1 | 274 | 579.487 | 4 | ↓ |