UCSF

ZINC20118611

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 19 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) 3.71 7.76 -34.23 1 3 1 17 348.692 4
Mid Mid (pH 6-8) 3.71 7.68 -30.28 1 3 1 17 348.692 4
Mid Mid (pH 6-8) 3.71 5.29 -3.99 0 3 0 16 347.684 4

Activity (Go SEA)

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

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