In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2010 | 17 | Yes |
Popular Name: (3S)-N1-cyclopropyl-N3-ethyl-N3-[[(2S)-tetrahydrofuran-2-yl]methyl]butane-1,3-diamine (3S)-N1-cyclopropyl-N3-ethyl-N3-…
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) | 1.84 | 7.07 | -96.17 | 3 | 3 | 2 | 30 | 242.407 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.84 | 5.29 | -32.81 | 2 | 3 | 1 | 29 | 241.399 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.