UCSF

ZINC96095263

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2014 8 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) -0.74 -1.94 -33.75 4 4 0 88 119.12 2
Mid Mid (pH 6-8) -0.74 -2.67 -40.52 3 4 -1 86 118.112 2

Activity (Go SEA)

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

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