UCSF

ZINC06255978

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2006 28 No

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) 4.21 12.86 -13.43 1 4 0 37 411.958 8
Lo Low (pH 4.5-6) 4.21 13.32 -50.2 2 4 1 39 412.966 8

Activity (Go SEA)

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