UCSF

ZINC04265000

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 24 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) 1.92 2.39 -16.14 1 8 0 107 324.296 5
Hi High (pH 8-9.5) 1.99 0.25 -48.31 0 8 -1 114 323.288 5

Activity (Go SEA)

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