UCSF

ZINC54743797

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 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) -0.64 3.96 -50.13 0 6 -1 70 238.267 4
Mid Mid (pH 6-8) -0.64 5.15 -58.38 1 6 0 72 239.275 4
Lo Low (pH 4.5-6) -0.64 6.95 -100.35 2 6 1 73 240.283 4
Lo Low (pH 4.5-6) -0.64 6.22 -48.54 1 6 0 72 239.275 4

Activity (Go SEA)

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

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