In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2010 | 19 | Yes |
Popular Name: 2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-5-chloro-benzamidine 2-[(4aS,7aS)-3,4a,5,6,7,7a-hexah…
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) | 1.76 | 5 | -33.15 | 4 | 4 | 1 | 64 | 280.779 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.76 | 5.96 | -4.21 | 3 | 4 | 0 | 62 | 279.771 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.