UCSF

ZINC40720697

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2010 15 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) 2.34 5.93 -103.44 4 2 2 33 291.258 4
Hi High (pH 8-9.5) 2.34 4.57 -38.5 3 2 1 29 290.25 4

Activity (Go SEA)

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