UCSF

ZINC53937011

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 20 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) -0.20 0.52 -52.05 4 4 1 54 343.289 6
Hi High (pH 8-9.5) -0.20 0.17 -5.33 3 4 0 53 342.281 6
Mid Mid (pH 6-8) -0.20 2.42 -41.4 4 4 1 54 343.289 6
Lo Low (pH 4.5-6) -0.20 2.77 -128.84 5 4 2 56 344.297 6

Activity (Go SEA)

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

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