UCSF

ZINC41685321

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 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) 2.12 6.78 -49.63 2 5 1 69 281.357 8
Hi High (pH 8-9.5) 2.12 5.41 -8.94 1 5 0 64 280.349 8

Activity (Go SEA)

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