UCSF

ZINC12363836

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 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) 0.67 -2.05 -9.97 2 8 0 94 307.354 7
Mid Mid (pH 6-8) 0.67 -1.81 -39.88 3 8 1 95 308.362 7

Activity (Go SEA)

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

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