UCSF

ZINC25595173

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2009 24 No

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) 2.44 9.27 -41.78 0 5 -1 61 344.46 2
Mid Mid (pH 6-8) 1.98 9.68 -13.09 1 5 0 58 345.468 2

Activity (Go SEA)

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