UCSF

ZINC69049178

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 14 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) -0.04 -1.32 -7.85 2 5 0 78 187.206 2
Mid Mid (pH 6-8) -0.04 -1.07 -49.84 3 5 1 79 188.214 2

Activity (Go SEA)

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

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