UCSF

ZINC25539659

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2009 26 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) 0.75 1.46 -46.43 2 7 1 59 364.466 6
Mid Mid (pH 6-8) 0.75 3.84 -99.88 3 7 2 60 365.474 6
Mid Mid (pH 6-8) 0.75 -0.92 -8.48 1 7 0 58 363.458 6
Mid Mid (pH 6-8) 0.75 1.46 -44.82 2 7 1 59 364.466 6

Activity (Go SEA)

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