UCSF

ZINC50054759

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2010 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) 1.34 4.93 -7.87 0 5 0 47 273.764 7
Mid Mid (pH 6-8) 1.34 6.92 -39.61 1 5 1 49 274.772 7

Activity (Go SEA)

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