UCSF

ZINC37333781

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 19 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) 0.02 -2.3 -15.98 5 7 0 132 298.349 3
Hi High (pH 8-9.5) 0.47 -4.27 -46.95 4 7 -1 135 297.341 3
Mid Mid (pH 6-8) 0.02 -2.87 -30.07 5 7 0 132 298.349 3

Activity (Go SEA)

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

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