UCSF

ZINC57121283

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2011 25 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) 3.64 6.2 -47.56 1 5 -1 77 363.434 6
Mid Mid (pH 6-8) 3.64 5.79 -16.34 2 5 0 75 364.442 6

Activity (Go SEA)

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