UCSF

ZINC11615565

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2008 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) 2.02 -4.2 -12.08 1 6 0 78 314.388 5
Hi High (pH 8-9.5) 2.02 -3.64 -47.08 0 6 -1 80 313.38 5

Activity (Go SEA)

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