UCSF

ZINC05387284

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 27 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) 4.87 9.28 -9.56 1 5 0 60 360.413 5
Mid Mid (pH 6-8) 4.87 9.7 -29.52 2 5 1 62 361.421 5

Activity (Go SEA)

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