In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 15th, 2010 | 16 | Yes |
Popular Name: (2S)-N1-[(1S)-2,2-dimethylcyclopropyl]-2-phenyl-propane-1,2-diamine (2S)-N1-[(1S)-2,2-dimethylcyclop…
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) | 2.47 | 5.97 | -37.65 | 4 | 2 | 1 | 43 | 219.352 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.47 | 6.21 | -125.05 | 5 | 2 | 2 | 44 | 220.36 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.