UCSF

ZINC53133844

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 15 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) 0.68 4.02 -12.81 1 4 0 59 201.229 2
Lo Low (pH 4.5-6) 0.68 4.48 -44.75 2 4 1 60 202.237 2

Activity (Go SEA)

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