UCSF

ZINC05890186

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 16 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) 2.02 8.04 -11.33 0 3 0 42 211.268 3
Mid Mid (pH 6-8) 2.02 8.51 -40.87 1 3 1 43 212.276 3

Activity (Go SEA)

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