UCSF

ZINC67239806

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2011 26 Yes

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) 3.37 11.31 -38.88 1 6 1 57 368.486 7
Mid Mid (pH 6-8) 3.37 9.27 -14.05 0 6 0 56 367.478 7

Activity (Go SEA)

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

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