UCSF

ZINC62152875

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2011 18 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) 3.42 6.66 -23.8 4 3 1 56 238.314 1
Mid Mid (pH 6-8) 3.42 6.23 -9.33 3 3 0 55 237.306 1
Mid Mid (pH 6-8) 3.42 6.24 -9.74 3 3 0 55 237.306 1

Activity (Go SEA)

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

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