UCSF

ZINC34611460

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 38 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) 2.15 9.73 -40.08 4 10 1 144 540.674 10
Mid Mid (pH 6-8) 2.15 7.75 -8.72 3 10 0 143 539.666 10

Activity (Go SEA)

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