In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 15th, 2010 | 20 | Yes |
Popular Name: 2-chloro-6-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]benzamidine 2-chloro-6-[(4S)-4-methyl-6,7-di…
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) | 2.83 | 7.15 | -32.1 | 4 | 3 | 1 | 55 | 306.842 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.83 | 7.29 | -5.37 | 3 | 3 | 0 | 53 | 305.834 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.