UCSF

ZINC22214134

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 1.25 6.67 -92.44 4 5 2 62 293.411 6
Hi High (pH 8-9.5) 1.25 4.06 -11.91 2 5 0 59 291.395 6
Mid Mid (pH 6-8) 1.25 4.47 -40.66 3 5 1 60 292.403 6

Activity (Go SEA)

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