UCSF

ZINC46721861

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2010 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.72 8.78 -41.77 2 4 1 43 364.263 6
Hi High (pH 8-9.5) 3.72 6.26 -10.17 1 4 0 42 363.255 6

Activity (Go SEA)

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