UCSF

ZINC34468138

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 35 No

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) 4.62 12 -51.98 3 7 1 84 471.581 9
Hi High (pH 8-9.5) 4.62 9.84 -13.46 2 7 0 83 470.573 9

Activity (Go SEA)

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