UCSF

ZINC25254060

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2009 29 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) 1.10 4.4 -28.92 2 8 0 108 420.535 9
Hi High (pH 8-9.5) 1.10 3.46 -56.4 1 8 -1 110 419.527 9

Activity (Go SEA)

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