UCSF

ZINC08992186

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 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) 3.77 8.25 -10.69 0 5 0 56 449.304 3
Lo Low (pH 4.5-6) 3.77 0.44 -126.83 2 5 2 58 451.32 3

Activity (Go SEA)

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