UCSF

ZINC41663891

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 32 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 5.54 11.31 -12.16 0 6 0 73 494.341 2
Mid Mid (pH 6-8) 5.54 14.33 -43.49 1 6 1 74 495.349 2

Activity (Go SEA)

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