UCSF

ZINC41584174

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 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) 6.61 13.36 -41.39 2 4 1 55 408.562 9
Mid Mid (pH 6-8) 6.61 13.98 -27.81 1 4 0 58 407.554 9

Activity (Go SEA)

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