UCSF

ZINC19996554

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 26 No

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) 1.56 3.36 -44.74 1 8 -1 100 357.39 5
Mid Mid (pH 6-8) 1.10 5.14 -8.14 2 8 0 96 358.398 5

Activity (Go SEA)

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

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