UCSF

ZINC23606980

Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 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) 2.46 4.9 -7.23 1 4 0 45 309.341 2
Mid Mid (pH 6-8) 2.46 7.63 -47.44 2 4 1 46 310.349 2

Activity (Go SEA)

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