UCSF

ZINC04720444

Substance Information

In ZINC since Heavy atoms Benign functionality
January 1st, 2006 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) 6.80 11.92 -7.37 1 4 0 39 399.966 7
Mid Mid (pH 6-8) 6.80 12.36 -27.42 2 4 1 40 400.974 7

Activity (Go SEA)

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