UCSF

ZINC52830964

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 15 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) 0.09 0.85 -18.53 1 5 0 72 227.289 3
Mid Mid (pH 6-8) 0.09 1.01 -47.48 2 5 1 73 228.297 3
Mid Mid (pH 6-8) 0.09 1.03 -47.23 2 5 1 73 228.297 3

Activity (Go SEA)

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

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