UCSF

ZINC20223171

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 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) 2.44 5.29 -58.56 3 5 1 64 298.366 5
Lo Low (pH 4.5-6) 2.44 5.71 -90.81 4 5 2 65 299.374 5

Activity (Go SEA)

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