UCSF

ZINC25463990

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 33 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) 1.89 5.23 -56.37 0 10 -1 126 488.571 6
Mid Mid (pH 6-8) 1.89 5.16 -24.93 1 10 0 124 489.579 6

Activity (Go SEA)

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