UCSF

ZINC05075381

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2006 20 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) 4.84 10 -8.29 0 2 0 20 352.297 1
Lo Low (pH 4.5-6) 4.84 9.94 -30.79 1 2 1 22 353.305 1

Activity (Go SEA)

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