UCSF

ZINC25463933

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 23 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) 2.52 3.8 -53.8 1 7 -1 103 330.345 5
Mid Mid (pH 6-8) 2.52 3.73 -18.22 2 7 0 101 331.353 5

Activity (Go SEA)

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