UCSF

ZINC43773462

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2010 39 No

CAS Numbers: 173334-57-1 , 173399-03-6

Other Names:

AliskirenHydrochloride

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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) 4.27 4.87 -73.42 7 9 1 148 552.777 19
Hi High (pH 8-9.5) 4.27 4.85 -21.97 6 9 0 146 551.769 19

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )