| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 21st, 2011 | 17 | Yes |
Popular Name: (1S,2S)-N1-(cyclopropylmethyl)-N1-ethyl-1-(2-thienyl)butane-1,2-diamine (1S,2S)-N1-(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) | 2.81 | 5.76 | -39.46 | 3 | 2 | 1 | 31 | 253.435 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.81 | 5.45 | -1.7 | 2 | 2 | 0 | 29 | 252.427 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 2.81 | 7.34 | -106.01 | 4 | 2 | 2 | 32 | 254.443 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
