UCSF

ZINC19882328

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 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) 0.49 -2.47 -13.64 2 8 0 84 396.484 10
Mid Mid (pH 6-8) 0.49 -0.19 -47.55 3 8 1 85 397.492 10

Activity (Go SEA)

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