| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2011 | 17 | Yes |
Popular Name: (1S)-N-(cyclobutylmethyl)-1-(4,5-dibromo-2-furyl)-N-methyl-ethane-1,2-diamine (1S)-N-(cyclobutylmethyl)-1-(4,5…
| 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) | 2.70 | 4.73 | -47.7 | 3 | 3 | 1 | 44 | 367.105 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.70 | 6.1 | -33.62 | 3 | 3 | 1 | 44 | 367.105 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.70 | 6.43 | -126.04 | 4 | 3 | 2 | 45 | 368.113 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
