UCSF

ZINC05760393

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2006 18 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) 3.75 10.27 -31.19 1 1 1 4 238.354 1
Hi High (pH 8-9.5) 3.75 8.13 -3.37 0 1 0 3 237.346 1

Activity (Go SEA)

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