UCSF

ZINC41202843

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 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) 2.77 8.05 -41.15 2 3 1 37 281.445 6
Hi High (pH 8-9.5) 2.77 6.85 -7.99 1 3 0 32 280.437 6

Activity (Go SEA)

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