UCSF

ZINC20366026

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 2.02 4.55 -36.28 3 4 1 46 270.441 7
Mid Mid (pH 6-8) 2.02 3.46 -39.63 3 4 1 49 270.441 7
Mid Mid (pH 6-8) 2.02 5.84 -109.75 4 4 2 50 271.449 7

Activity (Go SEA)

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

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