UCSF

ZINC00550671

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 23 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) 1.74 2 -10.54 1 6 0 81 326.381 6
Lo Low (pH 4.5-6) 1.74 2.47 -44.73 2 6 1 82 327.389 6

Activity (Go SEA)

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