In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 19th, 2009 | 21 | 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) | 2.95 | 6.29 | -39.88 | 2 | 3 | 1 | 28 | 283.395 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.95 | 3.82 | -7.44 | 1 | 3 | 0 | 27 | 282.387 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.95 | 6.22 | -41.06 | 2 | 3 | 1 | 28 | 283.395 | 3 | ↓ |