UCSF

ZINC07752970

Substance Information

In ZINC since Heavy atoms Benign functionality
June 15th, 2006 29 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) 3.62 -1.79 -16.75 1 7 0 92 418.515 10
Hi High (pH 8-9.5) 3.62 -1.22 -50.02 0 7 -1 94 417.507 10

Activity (Go SEA)

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