UCSF

ZINC70096812

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2011 20 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 6.06 -53.2 2 5 1 68 270.36 2
Mid Mid (pH 6-8) 0.61 4.73 -8.61 1 5 0 64 269.352 2

Activity (Go SEA)

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

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