UCSF

ZINC69796724

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 16 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) 2.07 5.55 -102.17 4 3 2 45 289.217 3
Mid Mid (pH 6-8) 2.07 5.17 -32.27 3 3 1 44 288.209 3
Mid Mid (pH 6-8) 2.07 3.38 -45.68 3 3 1 44 288.209 3

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.