UCSF

ZINC69456521

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 24 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) 1.23 3.08 -57.06 1 6 -1 89 324.36 5
Mid Mid (pH 6-8) 1.05 5.56 -15.59 2 6 0 82 325.368 5
Mid Mid (pH 6-8) 1.05 5.64 -15.83 2 6 0 82 325.368 5

Activity (Go SEA)

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

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