UCSF

ZINC17986739

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 32 No

Other Names:

MFCD02020337

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) 4.08 12.42 -12.44 0 7 0 90 435.476 7
Ref Reference (pH 7) 4.08 12.53 -15.45 0 7 0 90 435.476 7

Activity (Go SEA)

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

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