UCSF

ZINC04909828

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 26 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) 2.60 7.56 -44.6 3 5 1 63 376.477 6
Hi High (pH 8-9.5) 2.60 5.38 -11.07 2 5 0 61 375.469 6

Activity (Go SEA)

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