UCSF

ZINC52831592

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 12 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) -0.57 1.69 -56.36 3 4 1 57 165.22 1
Hi High (pH 8-9.5) -0.57 1.41 -8.09 2 4 0 55 164.212 1

Activity (Go SEA)

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

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