UCSF

ZINC05344576

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2006 14 Yes

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) 0.09 -0.01 -35.75 3 4 1 83 187.178 0
Hi High (pH 8-9.5) 0.09 0.78 -41.91 2 4 0 86 186.17 0

Activity (Go SEA)

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