UCSF

ZINC40972485

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2010 38 No

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) 4.96 16.21 -54.14 1 6 1 62 527.762 7
Mid Mid (pH 6-8) 4.96 17.44 -164.63 3 6 3 65 529.778 7
Mid Mid (pH 6-8) 4.96 17.12 -104.84 2 6 2 63 528.77 7

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.