UCSF

ZINC04737596

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 23 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) 3.45 8.89 -9.65 1 7 0 92 310.313 3
Hi High (pH 8-9.5) 4.64 7.68 -41.84 0 7 -1 99 309.305 3
Hi High (pH 8-9.5) 4.64 6.39 -38.85 0 7 -1 99 309.305 3

Activity (Go SEA)

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