UCSF

ZINC39228718

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 26 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) 4.23 12.36 -46.4 2 4 1 38 413.339 3
Mid Mid (pH 6-8) 4.23 9.96 -14.63 1 4 0 37 412.331 3

Activity (Go SEA)

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