In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2011 | 20 | Yes |
Popular Name: 4-chloro-2-(3,4-dihydro-1H-isoquinolin-2-yl)benzamidine 4-chloro-2-(3,4-dihydro-1H-isoqu…
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) | 2.42 | 7.89 | -36.89 | 4 | 3 | 1 | 55 | 286.786 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.42 | 8.9 | -4.74 | 3 | 3 | 0 | 53 | 285.778 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.