UCSF

ZINC22042590

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 18 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) 1.74 4.34 -35.92 2 3 1 28 249.378 5
Hi High (pH 8-9.5) 1.74 2.37 -4.22 1 3 0 27 248.37 5
Mid Mid (pH 6-8) 1.74 4.71 -33.16 2 3 1 28 249.378 5

Activity (Go SEA)

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