UCSF

ZINC25499964

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 28 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) 4.83 10.33 -58.77 3 7 -1 118 378.408 5
Hi High (pH 8-9.5) 5.29 8.75 -108.5 2 7 -2 121 377.4 5

Activity (Go SEA)

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