UCSF

ZINC25865165

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2009 31 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) 3.05 11.04 -56.1 2 6 1 57 441.983 7
Mid Mid (pH 6-8) 3.05 8.83 -13.73 1 6 0 56 440.975 7

Activity (Go SEA)

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