UCSF

ZINC31962268

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) 1.09 5.26 -50.32 4 5 1 73 285.371 5
Mid Mid (pH 6-8) 1.09 4.94 -14.21 3 5 0 71 284.363 5

Activity (Go SEA)

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