UCSF

ZINC13774424

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 26 No

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) 6.91 6.46 -39.77 1 5 -1 81 468.139 1
Ref Reference (pH 7) 6.91 5.64 -43.27 1 5 -1 81 468.139 1
Mid Mid (pH 6-8) 6.91 5.96 -39.53 1 5 -1 81 468.139 1
Mid Mid (pH 6-8) 6.46 7.94 -9.78 2 5 0 78 469.147 1
Mid Mid (pH 6-8) 7.37 4.49 -96.87 0 5 -2 84 467.131 1
Mid Mid (pH 6-8) 6.46 7.44 -9.54 2 5 0 78 469.147 1
Mid Mid (pH 6-8) 6.91 5.49 -37.66 1 5 -1 81 468.139 1
Mid Mid (pH 6-8) 7.37 3.67 -99.2 0 5 -2 84 467.131 1

Activity (Go SEA)

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