UCSF

ZINC35186803

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 19 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) 0.55 0.38 -7.62 1 5 0 57 304.177 3
Lo Low (pH 4.5-6) 0.55 2.67 -44.26 2 5 1 58 305.185 3

Activity (Go SEA)

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