UCSF

ZINC49524438

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2010 28 No

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) -0.28 6.81 -41.76 3 8 1 98 382.444 5
Mid Mid (pH 6-8) -0.28 6.34 -17.13 2 8 0 96 381.436 5

Activity (Go SEA)

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

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