UCSF

ZINC07613050

Substance Information

In ZINC since Heavy atoms Benign functionality
June 7th, 2006 22 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) -0.82 -2.91 -32.55 1 4 1 32 363.696 3
Mid Mid (pH 6-8) -0.82 0.43 -105.66 2 4 2 33 364.704 3

Activity (Go SEA)

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