UCSF

ZINC34616675

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 18 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) 0.59 3.14 -38.63 6 6 1 104 248.31 2
Hi High (pH 8-9.5) 1.05 1.07 -51.16 5 6 0 107 247.302 2

Activity (Go SEA)

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