UCSF

ZINC25557561

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2009 30 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 7.49 13.05 -44.85 1 6 -1 98 462.696 5
Mid Mid (pH 6-8) 7.49 12.17 -10.74 2 6 0 95 463.704 5

Activity (Go SEA)

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