UCSF

ZINC17201399

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2008 24 No

Other Names:

MFCD01919676

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) 4.73 6.34 -38.93 1 5 -1 77 399.249 2
Ref Reference (pH 7) 5.22 6.82 -7.63 2 5 0 78 400.257 1
Ref Reference (pH 7) 5.22 6.39 -7.98 2 5 0 78 400.257 1
Hi High (pH 8-9.5) 6.13 3.32 -101.98 0 5 -2 84 398.241 1
Hi High (pH 8-9.5) 6.13 2.63 -104.41 0 5 -2 84 398.241 1
Mid Mid (pH 6-8) 5.68 4.58 -42.69 1 5 -1 81 399.249 1
Mid Mid (pH 6-8) 5.18 4.39 -99.8 0 5 -2 80 398.241 2
Mid Mid (pH 6-8) 5.68 4.86 -41.57 1 5 -1 81 399.249 1
Mid Mid (pH 6-8) 5.68 4.44 -42.94 1 5 -1 81 399.249 1
Mid Mid (pH 6-8) 5.68 5.28 -41.05 1 5 -1 81 399.249 1

Activity (Go SEA)

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