UCSF

ZINC39265232

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 34 Yes

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) 4.47 11.27 -14.91 0 7 0 72 493.507 8
Mid Mid (pH 6-8) 4.47 13.49 -50.71 1 7 1 73 494.515 8

Activity (Go SEA)

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