UCSF

ZINC34400825

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 21 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) 1.73 6.98 -103.73 4 4 2 45 291.439 3
Mid Mid (pH 6-8) 1.73 4.62 -43.41 3 4 1 43 290.431 3

Activity (Go SEA)

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