UCSF

ZINC21022144

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2008 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) 3.79 8.46 -115.7 4 2 2 32 282.516 4
Mid Mid (pH 6-8) 3.79 6.94 -44.08 3 2 1 31 281.508 4

Activity (Go SEA)

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