UCSF

ZINC39965608

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 25 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) 2.64 6.08 -10.94 0 7 0 62 362.455 6
Mid Mid (pH 6-8) 2.64 8.35 -45.25 1 7 1 63 363.463 6

Activity (Go SEA)

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