UCSF

ZINC05921661

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 24 No

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) 2.57 5.36 -55.62 1 5 -1 78 322.34 5
Lo Low (pH 4.5-6) 2.57 4.6 -12.27 2 5 0 76 323.348 5

Activity (Go SEA)

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