UCSF

ZINC13227926

Substance Information

In ZINC since Heavy atoms Benign functionality
June 12th, 2008 12 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) 0.82 5.33 -12.41 0 3 0 60 155.16 1
Lo Low (pH 4.5-6) 0.82 4.98 -39.31 1 3 1 62 156.168 1

Activity (Go SEA)

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