UCSF

ZINC05210313

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2006 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) 1.06 4.37 -41.36 3 4 1 59 222.293 4
Mid Mid (pH 6-8) 1.06 3.89 -13.84 2 4 0 58 221.285 4
Mid Mid (pH 6-8) 1.06 3.91 -14.48 2 4 0 58 221.285 4

Activity (Go SEA)

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

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