UCSF

ZINC36378500

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2009 11 No

CAS Number: 28128-40-7

Other Names:

MFCD00233553

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) -0.61 2.91 -33.36 1 5 -1 75 164.173 0
Lo Low (pH 4.5-6) -0.61 2.9 -11.44 2 5 0 78 165.181 0

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.