UCSF

ZINC21789140

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 20 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) 3.11 5.54 -48.29 4 3 1 57 309.739 5
Hi High (pH 8-9.5) 3.11 5.21 -9.22 3 3 0 55 308.731 5

Activity (Go SEA)

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