UCSF

ZINC04527001

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 30 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) 3.99 2.55 -14.23 0 4 0 40 424.541 9

Activity (Go SEA)

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