In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 8th, 2008 | 27 | 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) | 3.31 | 7.57 | -16.83 | 1 | 5 | 0 | 58 | 361.445 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.31 | 9.88 | -47.13 | 2 | 5 | 1 | 59 | 362.453 | 5 | ↓ |