UCSF

ZINC25525629

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 34 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) 3.08 9.57 -29.25 1 10 0 126 487.534 9
Hi High (pH 8-9.5) 3.08 9.65 -72.64 0 10 -1 128 486.526 9

Activity (Go SEA)

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