UCSF

ZINC36804776

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 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) 2.60 6.5 -38.01 2 4 1 35 277.388 6
Mid Mid (pH 6-8) 2.60 5.63 -48.45 2 4 1 38 277.388 6

Activity (Go SEA)

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