UCSF

ZINC05113972

Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2006 11 No

Other Names:

MFCD00055562

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) -4.89 -3.09 -50.25 4 5 0 105 181.128 5
Hi High (pH 8-9.5) -4.89 -3.4 -53.64 3 5 -1 103 180.12 5

Activity (Go SEA)

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

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