UCSF

ZINC72187789

Substance Information

In ZINC since Heavy atoms Benign functionality
April 3rd, 2012 31 Yes

CAS Numbers: 147511-69-1 , 147526-32-7

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) 3.91 10.41 -57.02 2 5 -1 93 420.46 8
Lo Low (pH 4.5-6) 3.91 10.71 -54.93 3 5 0 95 421.468 8

Vendor Notes

Note Type Comments Provided By
Target HMG-CoA Reductase Selleck Chemicals
Therapy HMGA reductase inhibitor SMDC Pharmakon
Target Others Selleck Chemicals

Activity (Go SEA)

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