UCSF

ZINC54965182

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 12 No

Other Names:

MFCD00038440

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) -1.96 4.51 -56.64 0 4 -1 60 186.212 1
Hi High (pH 8-9.5) 3.07 5.45 -4.2 0 1 0 12 175.275 1

Activity (Go SEA)

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

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