UCSF

ZINC40829619

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 21 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) 3.32 13.4 -18.2 0 2 0 34 280.367 8
Hi High (pH 8-9.5) 4.06 12.36 -50.23 0 2 -1 40 279.359 7

Activity (Go SEA)

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