UCSF

ZINC17970072

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2008 34 No

Other Names:

MFCD06590982

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) 6.74 9.88 -19.22 0 6 0 93 492.622 6
Ref Reference (pH 7) 6.74 9.85 -20.93 0 6 0 93 492.622 6

Activity (Go SEA)

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

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