UCSF

ZINC37824165

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) 0.93 2.81 -44.13 4 5 1 77 295.403 8
Hi High (pH 8-9.5) 0.93 2.48 -10.01 3 5 0 76 294.395 8

Activity (Go SEA)

Rings

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