UCSF

ZINC44930384

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2010 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) -0.24 -1.16 -37.25 1 8 -1 102 259.315 4
Hi High (pH 8-9.5) -0.24 -1.32 -104.23 0 8 -2 104 258.307 4
Lo Low (pH 4.5-6) -0.24 -0.91 -12.82 2 8 0 104 260.323 4

Activity (Go SEA)

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

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