UCSF

ZINC25143707

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 33 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) 2.65 8.92 -23.35 1 9 0 100 488.639 6
Hi High (pH 8-9.5) 2.72 8 -55.42 0 9 -1 107 487.631 6

Activity (Go SEA)

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