UCSF

ZINC48946610

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 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) 1.44 4.52 -25.51 3 5 1 66 265.381 4
Hi High (pH 8-9.5) 1.44 4.49 -9.18 2 5 0 64 264.373 4
Mid Mid (pH 6-8) 1.44 4.68 -21.55 3 5 1 66 265.381 4
Mid Mid (pH 6-8) 1.44 5.16 -101.75 4 5 2 67 266.389 4
Lo Low (pH 4.5-6) 1.44 5 -101.96 4 5 2 67 266.389 4

Activity (Go SEA)

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

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