UCSF

ZINC05646301

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2006 28 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) 4.56 8.64 -33.84 3 5 1 69 373.432 5
Mid Mid (pH 6-8) 4.55 8.19 -12.03 2 5 0 67 372.424 5

Activity (Go SEA)

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