In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 16th, 2009 | 32 | 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) | 1.30 | 7.25 | -23.41 | 0 | 9 | 0 | 86 | 436.468 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.30 | 9.59 | -70.21 | 1 | 9 | 1 | 87 | 437.476 | 4 | ↓ |