UCSF

ZINC44682182

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 6 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) -0.63 -1.47 -4.49 0 2 0 20 85.106 0
Mid Mid (pH 6-8) -0.63 1.96 -40.59 1 2 1 22 86.114 0

Activity (Go SEA)

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

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