UCSF

ZINC61295922

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2011 20 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) -0.20 3.95 -47.48 2 5 1 53 277.392 6
Lo Low (pH 4.5-6) -0.20 6.16 -105.45 3 5 2 54 278.4 6

Activity (Go SEA)

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

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