UCSF

ZINC30287113

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2009 20 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) 1.56 6.92 -40.82 2 4 1 46 294.444 5
Mid Mid (pH 6-8) 1.56 4.63 -11.2 1 4 0 45 293.436 5

Activity (Go SEA)

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