UCSF

ZINC30913006

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2009 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) 5.15 9.65 -55.37 2 2 1 26 418.124 5
Mid Mid (pH 6-8) 5.15 8.39 -8.07 1 2 0 21 417.116 5

Activity (Go SEA)

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