In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 9th, 2010 | 17 | Yes |
Popular Name: (7R)-N2-cyclopentyl-N2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine (7R)-N2-cyclopentyl-N2-methyl-4,…
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) | 1.04 | 5.97 | -44.28 | 3 | 3 | 1 | 44 | 252.407 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.04 | 5.64 | -6.24 | 2 | 3 | 0 | 42 | 251.399 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.04 | 6.29 | -92.06 | 4 | 3 | 2 | 45 | 253.415 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.