UCSF

ZINC07612987

Substance Information

In ZINC since Heavy atoms Benign functionality
June 7th, 2006 21 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) -3.09 -0.83 -41.43 0 5 1 38 291.371 5
Mid Mid (pH 6-8) -3.09 2.51 -116.92 1 5 2 39 292.379 5

Activity (Go SEA)

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