UCSF

ZINC34841126

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 22 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) 4.24 7.39 -6.6 2 4 0 44 292.386 3
Lo Low (pH 4.5-6) 4.24 8.01 -40.75 3 4 1 45 293.394 3

Activity (Go SEA)

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