In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2009 | 18 | Yes |
Popular Name: (2R)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-phenyl-propan-1-amine (2R)-N-[(1S)-1-(4-methyl-1,2,4-t…
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) | 2.29 | 8.93 | -45.59 | 2 | 4 | 1 | 47 | 245.35 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.29 | 7.91 | -11 | 1 | 4 | 0 | 43 | 244.342 | 5 | ↓ |