UCSF

ZINC05445177

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2006 28 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.69 1.61 -47.7 2 5 1 62 403.861 5
Mid Mid (pH 6-8) 2.67 1.43 -47.85 1 5 1 58 403.861 6

Activity (Go SEA)

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