UCSF

ZINC20549988

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 21 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) 3.98 7.26 -43.38 2 3 1 29 297.507 7
Lo Low (pH 4.5-6) 3.98 9.22 -119.7 3 3 2 30 298.515 7

Activity (Go SEA)

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