UCSF

ZINC03832412

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 23 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) 2.75 -2.95 -10.39 2 5 0 78 301.305 0
Lo Low (pH 4.5-6) 2.75 -2.85 -42.6 3 5 1 79 302.313 0

Activity (Go SEA)

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