UCSF

ZINC05866877

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 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) 1.98 4.71 -11.15 2 5 0 71 262.338 4
Mid Mid (pH 6-8) 1.98 4.63 -13.13 2 5 0 71 262.338 4

Activity (Go SEA)

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