UCSF

ZINC63362740

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2011 20 Yes

Other Names:

MFCD00037948

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) -1.78 2.68 -90.07 5 6 1 111 276.316 5
Hi High (pH 8-9.5) -1.78 2.4 -54.82 4 6 0 109 275.308 5

Activity (Go SEA)

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

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