| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2010 | 18 | Yes |
Popular Name: (2S)-N1-butyl-N1-cyclopropyl-2-phenyl-propane-1,2-diamine (2S)-N1-butyl-N1-cyclopropyl-2-p…
| 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) | 3.58 | 8.81 | -30.12 | 3 | 2 | 1 | 30 | 247.406 | 7 | ↓ |
| Hi High (pH 8-9.5) | 3.58 | 6.91 | -1.18 | 2 | 2 | 0 | 29 | 246.398 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.58 | 8.33 | -119.3 | 4 | 2 | 2 | 32 | 248.414 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
