UCSF

ZINC63003754

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 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) -0.37 -1.9 -39.96 5 5 1 86 251.306 4
Hi High (pH 8-9.5) -0.37 -3.29 -7.68 4 5 0 82 250.298 4

Activity (Go SEA)

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

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