UCSF

ZINC63156430

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2011 17 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) -0.78 -2.18 -48.04 1 8 -1 108 260.299 5
Lo Low (pH 4.5-6) -0.78 -2.19 -16.64 2 8 0 110 261.307 5

Activity (Go SEA)

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

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