UCSF

ZINC37004728

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) 3.12 6.07 -44.37 4 3 1 57 328.274 5
Hi High (pH 8-9.5) 3.12 5.78 -4.75 3 3 0 55 327.266 5

Activity (Go SEA)

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