UCSF

ZINC79405240

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2012 14 Yes

Other Names:

MFCD21093903

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) 0.00 0.37 -41.76 4 4 1 66 201.29 4
Hi High (pH 8-9.5) 0.00 -1.05 -7.47 3 4 0 61 200.282 4

Activity (Go SEA)

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

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