UCSF

ZINC13140225

Substance Information

In ZINC since Heavy atoms Benign functionality
May 30th, 2008 15 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) 3.07 6.72 -23.85 1 4 1 43 242.349 3
Mid Mid (pH 6-8) 3.07 6.87 -90 2 4 2 44 243.357 3
Mid Mid (pH 6-8) 3.07 7.11 -90.65 2 4 2 44 243.357 3

Activity (Go SEA)

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

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