UCSF

ZINC35300161

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 25 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) 3.51 7.08 -13.36 2 6 0 84 364.446 7
Hi High (pH 8-9.5) 3.70 5.28 -41.73 1 6 -1 90 363.438 7

Activity (Go SEA)

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