UCSF

ZINC06498908

Substance Information

In ZINC since Heavy atoms Benign functionality
April 3rd, 2006 29 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) 1.92 6.68 -61.05 0 7 -1 92 395.435 8
Lo Low (pH 4.5-6) 1.92 5.94 -14.78 1 7 0 89 396.443 8

Activity (Go SEA)

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