UCSF

ZINC39126703

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 29 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) 3.05 4.75 -13.71 1 8 0 91 401.415 7
Hi High (pH 8-9.5) 3.05 5.67 -56.6 0 8 -1 93 400.407 7

Activity (Go SEA)

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

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