UCSF

ZINC49551744

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 22 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) -0.05 4.34 -78.01 2 9 -1 133 300.254 3
Ref Reference (pH 7) -0.06 6.25 -86.96 2 9 -1 132 300.254 3
Mid Mid (pH 6-8) -0.05 5.04 -140.09 1 9 -2 135 299.246 3
Mid Mid (pH 6-8) -0.06 6.25 -105.93 2 9 -1 132 300.254 3

Activity (Go SEA)

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

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