UCSF

ZINC23744632

Substance Information

In ZINC since Heavy atoms Benign functionality
January 7th, 2009 25 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) 2.62 9.04 -15.03 0 5 0 42 342.439 7
Lo Low (pH 4.5-6) 2.62 9.78 -28.36 1 5 0 43 343.447 7

Activity (Go SEA)

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