UCSF

ZINC18037781

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 22 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) 2.02 5.27 -47.8 2 5 -1 85 293.302 4
Lo Low (pH 4.5-6) 2.02 3.87 -25.82 3 5 0 82 294.31 4

Activity (Go SEA)

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