In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 9th, 2010 | 18 | Yes |
Popular Name: [5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2-methyl-3-furyl]methanamine [5-(6,7-dihydro-4H-thieno[3,2-c]…
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) | 1.60 | 4.5 | -44.96 | 3 | 3 | 1 | 44 | 263.386 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.60 | 4.1 | -6.58 | 2 | 3 | 0 | 42 | 262.378 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.60 | 6.7 | -99.55 | 4 | 3 | 2 | 45 | 264.394 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.