UCSF

ZINC25499547

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) 4.44 12.39 -54.41 2 7 -1 107 378.408 6
Hi High (pH 8-9.5) 4.90 10.8 -113.11 1 7 -2 110 377.4 6

Activity (Go SEA)

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