UCSF

ZINC05933260

Substance Information

In ZINC since Heavy atoms Benign functionality
February 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) 3.20 9.99 -7.85 1 3 0 30 283.762 4
Lo Low (pH 4.5-6) 3.20 10.51 -32.42 2 3 1 31 284.77 4

Activity (Go SEA)

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