In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 25th, 2008 | 29 | 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) | 7.18 | 15.3 | -9.42 | 1 | 2 | 0 | 29 | 372.471 | 4 | ↓ |
Ref Reference (pH 7) | 7.18 | 15.23 | -9.43 | 1 | 2 | 0 | 29 | 372.471 | 4 | ↓ |
Mid Mid (pH 6-8) | 7.18 | 15.76 | -27.78 | 2 | 2 | 1 | 30 | 373.479 | 4 | ↓ |
Mid Mid (pH 6-8) | 7.18 | 15.76 | -27.83 | 2 | 2 | 1 | 30 | 373.479 | 4 | ↓ |