In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 9th, 2011 | 16 | Yes |
Popular Name: N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyridazin-3-amine N-[(4S)-4,5,6,7-tetrahydrobenzot…
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) | 2.18 | 5.54 | -8.05 | 1 | 3 | 0 | 38 | 231.324 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.18 | 5.7 | -33.58 | 2 | 3 | 1 | 39 | 232.332 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.18 | 5.72 | -30.41 | 2 | 3 | 1 | 39 | 232.332 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.