UCSF

ZINC54931771

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 11 Yes

Other Names:

MFCD26793056

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) -0.13 1.06 -48.97 2 5 1 60 172.237 2
Hi High (pH 8-9.5) -0.13 -0.63 -8.85 1 5 0 56 171.229 2

Activity (Go SEA)

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

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