UCSF

ZINC04901187

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 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) 3.35 10.2 -32.4 1 4 1 44 288.367 5
Hi High (pH 8-9.5) 3.35 7.99 -6.99 0 4 0 43 287.359 5

Activity (Go SEA)

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