| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 21st, 2011 | 18 | Yes |
Popular Name: (3S,4S)-N3-(cyclopropylmethyl)-N3-ethyl-chromane-3,4-diamine (3S,4S)-N3-(cyclopropylmethyl)-N…
| 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) | 0.56 | 4.23 | -41.92 | 3 | 3 | 1 | 40 | 247.362 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.56 | 4.05 | -2.85 | 2 | 3 | 0 | 38 | 246.354 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.56 | 6.02 | -34.66 | 3 | 3 | 1 | 40 | 247.362 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.56 | 6.34 | -125.7 | 4 | 3 | 2 | 41 | 248.37 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
