UCSF

ZINC26569950

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 30 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) 5.40 13.31 -38.26 2 3 1 34 402.558 9
Hi High (pH 8-9.5) 5.40 10.74 -8.52 1 3 0 33 401.55 9

Activity (Go SEA)

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