UCSF

ZINC30653998

Substance Information

In ZINC since Heavy atoms Benign functionality
April 1st, 2009 19 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) 1.39 6.44 -11.73 1 4 0 47 269.226 4
Mid Mid (pH 6-8) 1.39 6.92 -41.9 2 4 1 48 270.234 4

Activity (Go SEA)

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