UCSF

ZINC37330653

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 20 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) 3.91 5.63 -11.08 1 4 0 63 305.79 2
Mid Mid (pH 6-8) 4.17 6.23 -9.4 2 4 0 65 305.79 2

Activity (Go SEA)

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

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