UCSF

ZINC40771338

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 20 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) 2.08 7.29 -119.15 3 4 2 40 284.444 4
Mid Mid (pH 6-8) 2.08 5.06 -39.94 2 4 1 38 283.436 4
Mid Mid (pH 6-8) 2.08 6.1 -35.33 2 4 1 35 283.436 4

Activity (Go SEA)

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

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