In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 7th, 2013 | 15 | Yes |
Popular Name: (R)-N-(pyrrolidin-3-yl)benzo[d]isothiazol-3-amine hydrochloride (R)-N-(pyrrolidin-3-yl)benzo[d]i…
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) | 2.26 | 4.81 | -46.71 | 3 | 3 | 1 | 42 | 220.321 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.26 | 3.38 | -7.96 | 2 | 3 | 0 | 37 | 219.313 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.