UCSF

ZINC33583425

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 38 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) 3.85 13.33 -61.51 0 8 -1 107 506.538 7
Lo Low (pH 4.5-6) 3.85 12.24 -19.19 1 8 0 104 507.546 7

Activity (Go SEA)

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