In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 12th, 2010 | 20 | 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) | 3.43 | 10.4 | -127.1 | 3 | 2 | 2 | 21 | 292.492 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.43 | 8.58 | -41.7 | 2 | 2 | 1 | 20 | 291.484 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.43 | 9.59 | -38 | 2 | 2 | 1 | 16 | 291.484 | 4 | ↓ |