UCSF

ZINC31920635

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 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) 3.98 7.09 -11.44 1 4 0 47 316.788 4
Lo Low (pH 4.5-6) 3.98 7.5 -30.1 2 4 1 48 317.796 4

Activity (Go SEA)

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