UCSF

ZINC27736194

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2009 25 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) 2.37 0.65 -61.5 7 6 1 120 345.419 8
Hi High (pH 8-9.5) 2.37 1.5 -90.09 6 6 0 123 344.411 8

Activity (Go SEA)

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