UCSF

ZINC34667667

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 34 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) 3.74 11.94 -23.56 1 8 0 84 480.952 8
Mid Mid (pH 6-8) 3.74 12.26 -54.43 2 8 1 85 481.96 8

Activity (Go SEA)

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