UCSF

ZINC44519279

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 28 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) 2.54 7.89 -43.34 3 6 1 65 376.484 6
Mid Mid (pH 6-8) 2.54 7.9 -44.82 3 6 1 65 376.484 6
Mid Mid (pH 6-8) 2.54 5.64 -9.74 2 6 0 64 375.476 6

Activity (Go SEA)

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