UCSF

ZINC03922662

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2005 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) 4.92 0.31 -8.59 0 2 0 17 366.056 1
Mid Mid (pH 6-8) 1.18 0.55 -26.75 1 2 1 19 367.064 1

Activity (Go SEA)

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