UCSF

ZINC05178248

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2006 28 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) 4.48 10.66 -30.01 2 8 0 116 397.46 7
Hi High (pH 8-9.5) 4.48 10.5 -55.39 1 8 -1 115 396.452 7

Activity (Go SEA)

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