UCSF

ZINC34667559

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 32 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) 3.87 9.98 -18.75 1 6 0 66 460.481 5
Mid Mid (pH 6-8) 3.87 10.33 -49.46 2 6 1 67 461.489 5

Activity (Go SEA)

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