UCSF

ZINC20214902

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 18 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) 1.09 4.45 -54.01 2 5 -1 85 292.142 5
Hi High (pH 8-9.5) 1.09 3.97 -99.66 1 5 -2 83 291.134 5

Activity (Go SEA)

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