In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 28th, 2010 | 17 | Yes |
Popular Name: (S)-benzothiophen-2-yl-(1-methylimidazol-2-yl)methanamine (S)-benzothiophen-2-yl-(1-methyl…
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) | 2.27 | 6.26 | -30.12 | 3 | 3 | 1 | 45 | 244.343 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.27 | 5.63 | -10.17 | 2 | 3 | 0 | 44 | 243.335 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.27 | 5.97 | -43.97 | 3 | 3 | 1 | 45 | 244.343 | 2 | ↓ |