UCSF

ZINC25473419

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 33 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) 0.82 9.41 -51.09 1 10 1 94 497.667 7
Hi High (pH 8-9.5) 0.82 7.06 -19.09 0 10 0 92 496.659 7

Activity (Go SEA)

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