UCSF

ZINC34949245

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 30 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) 3.39 6.5 -11.46 0 6 0 59 436.549 10
Mid Mid (pH 6-8) 3.39 8.78 -49.55 1 6 1 60 437.557 10

Activity (Go SEA)

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