UCSF

ZINC37012556

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 1.67 1.2 -50.78 4 5 1 79 292.281 7
Hi High (pH 8-9.5) 1.67 0.91 -8.06 3 5 0 77 291.273 7

Activity (Go SEA)

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