UCSF

ZINC37081464

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 15 No

Download: MOL2 SDF SMILES Flexibase

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) -1.32 2.08 -55.01 2 5 1 57 212.273 2
Mid Mid (pH 6-8) -1.32 0.79 -10.08 1 5 0 53 211.265 2

Activity (Go SEA)

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

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