In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2010 | 18 | Yes |
Popular Name: (3R)-N1,N3-dicyclopropyl-N3-(3-thienylmethyl)butane-1,3-diamine (3R)-N1,N3-dicyclopropyl-N3-(3-t…
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) | 2.45 | 7.39 | -34.5 | 2 | 2 | 1 | 20 | 265.446 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.45 | 9.01 | -103.2 | 3 | 2 | 2 | 21 | 266.454 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.