UCSF

ZINC95079428

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2013 11 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) 0.48 -0.67 -50.32 3 4 1 65 149.177 0
Mid Mid (pH 6-8) 0.48 -0.98 -7.85 2 4 0 64 148.169 0

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.