UCSF

ZINC49372151

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 25 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) 2.09 6.5 -45.53 2 6 1 55 344.483 5
Mid Mid (pH 6-8) 2.09 7.12 -86.53 3 6 2 56 345.491 5
Mid Mid (pH 6-8) 2.09 6.58 -41.46 2 6 1 55 344.483 5
Mid Mid (pH 6-8) 2.09 4.94 -29.85 2 6 1 55 344.483 5
Mid Mid (pH 6-8) 2.09 4.32 -12.84 1 6 0 53 343.475 5

Activity (Go SEA)

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