UCSF

ZINC39353688

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2010 31 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) 2.08 9.96 -62.32 3 7 1 84 424.569 5
Mid Mid (pH 6-8) 2.08 8.08 -13.81 2 7 0 83 423.561 5

Activity (Go SEA)

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