UCSF

ZINC43896953

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 21 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) 3.10 8.63 -95.02 3 3 2 24 291.483 5
Hi High (pH 8-9.5) 3.10 6.42 -35.85 2 3 1 23 290.475 5
Mid Mid (pH 6-8) 3.10 7.33 -32.67 2 3 1 20 290.475 5
Mid Mid (pH 6-8) 3.10 8.26 -122.31 3 3 2 24 291.483 5

Activity (Go SEA)

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