UCSF

ZINC34478667

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 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) 1.69 3.65 -7.05 4 4 0 78 212.615 0
Mid Mid (pH 6-8) 1.69 4.09 -24.05 5 4 1 79 213.623 0

Activity (Go SEA)

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