UCSF

ZINC04156889

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 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) 5.07 0.82 -13.76 1 5 0 55 375.472 6
Mid Mid (pH 6-8) 5.07 1 -30.43 2 5 1 56 376.48 6

Activity (Go SEA)

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