UCSF

ZINC18096552

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2008 19 No

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) 2.32 7.28 -8.67 0 3 0 47 249.269 1
Ref Reference (pH 7) 3.79 6.5 -51.26 0 3 -1 52 248.261 1
Mid Mid (pH 6-8) 3.79 6.08 -9.42 1 3 0 50 249.269 1
Mid Mid (pH 6-8) 3.79 5.64 -9.65 1 3 0 50 249.269 1

Activity (Go SEA)

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