UCSF

ZINC05782819

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2006 20 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 4.24 9.13 -9.22 1 3 0 41 262.312 2
Hi High (pH 8-9.5) 5.42 6.74 -41.45 0 3 -1 48 261.304 2

Activity (Go SEA)

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