UCSF

ZINC67946807

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 18 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) -0.23 -0.26 -47.61 4 4 1 60 267.374 3
Hi High (pH 8-9.5) -0.23 -0.71 -9 3 4 0 59 266.366 3

Activity (Go SEA)

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

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