UCSF

ZINC58370922

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 20 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) 4.28 7.82 -11.32 1 3 0 46 296.342 5
Mid Mid (pH 6-8) 4.73 5.91 -49.98 0 3 -1 49 295.334 5

Activity (Go SEA)

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