UCSF

ZINC23535898

Substance Information

In ZINC since Heavy atoms Benign functionality
January 3rd, 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) 3.69 8.21 -25.85 2 7 0 89 416.89 5
Mid Mid (pH 6-8) 3.69 8.05 -48.21 1 7 -1 87 415.882 5

Activity (Go SEA)

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