UCSF

ZINC16778536

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2008 16 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) 0.61 5.27 -10.47 1 5 0 64 212.212 1
Mid Mid (pH 6-8) 0.61 5.76 -29.18 2 5 1 65 213.22 1

Activity (Go SEA)

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

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