UCSF

ZINC34645284

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 23 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) 1.68 5.46 -22.8 3 6 0 88 314.341 7
Hi High (pH 8-9.5) 1.68 6.67 -64.67 2 6 -1 90 313.333 7

Activity (Go SEA)

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