UCSF

ZINC62938759

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 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) -0.52 5.18 -106.97 4 7 2 79 255.37 6
Mid Mid (pH 6-8) -0.52 2.97 -49.53 3 7 1 78 254.362 6

Activity (Go SEA)

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

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