UCSF

ZINC06505217

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2006 19 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) 2.28 6.56 -16.1 2 4 0 58 257.337 2
Lo Low (pH 4.5-6) 2.28 7.05 -42.39 3 4 1 59 258.345 2

Activity (Go SEA)

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