UCSF

ZINC06681216

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2006 22 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) 3.46 3.6 -61.12 2 5 1 76 308.342 0
Hi High (pH 8-9.5) 3.28 -6.17 -46.9 0 5 -1 74 306.326 0
Mid Mid (pH 6-8) 3.46 3.25 -24.37 1 5 0 75 307.334 0
Mid Mid (pH 6-8) 3.46 3.22 -44.2 1 5 0 75 307.334 0

Activity (Go SEA)

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

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