UCSF

ZINC57995990

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.80 3.39 -19.05 3 8 0 116 388.449 6
Mid Mid (pH 6-8) 1.80 3.88 -38.31 4 8 1 118 389.457 6

Activity (Go SEA)

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

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