UCSF

ZINC34560730

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 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) 5.32 8.29 -15.3 3 6 0 91 488.849 5
Hi High (pH 8-9.5) 5.32 9 -54 2 6 -1 94 487.841 5

Activity (Go SEA)

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