UCSF

ZINC36855127

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 20 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) -0.76 6.38 -38.61 2 6 0 94 284.356 7
Hi High (pH 8-9.5) -0.76 5.34 -47.84 1 6 -1 90 283.348 7

Activity (Go SEA)

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