UCSF

ZINC15047140

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2008 28 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) 2.79 7.31 -13.89 1 8 0 85 398.492 8
Lo Low (pH 4.5-6) 2.79 8.08 -69.45 2 8 0 86 399.5 8

Activity (Go SEA)

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