UCSF

ZINC67541586

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2011 21 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) 1.84 7 -36.21 1 4 1 30 293.431 5
Mid Mid (pH 6-8) 1.84 6.61 -34.08 1 4 1 30 293.431 5

Activity (Go SEA)

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

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