UCSF

ZINC22933591

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 24 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.05 9.38 -77.25 2 4 2 21 333.52 5
Hi High (pH 8-9.5) 2.05 4.67 -3.1 0 4 0 19 331.504 5
Mid Mid (pH 6-8) 2.05 9.32 -81.63 2 4 2 21 333.52 5
Mid Mid (pH 6-8) 2.05 6.92 -36.39 1 4 1 20 332.512 5

Activity (Go SEA)

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