UCSF

ZINC39227835

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 32 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) 5.58 11.88 -9.74 1 5 0 61 441.918 3
Mid Mid (pH 6-8) 5.58 13.57 -48.85 2 5 1 62 442.926 3

Activity (Go SEA)

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