In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 9th, 2010 | 16 | Yes |
Popular Name: (7S)-N2-cyclopropyl-N2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7S)-N2-cyclopropyl-N2-ethyl-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) | 0.38 | 5.48 | -44.75 | 3 | 3 | 1 | 44 | 238.38 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.38 | 5.15 | -5.36 | 2 | 3 | 0 | 42 | 237.372 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.38 | 5.93 | -91.26 | 4 | 3 | 2 | 45 | 239.388 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.