UCSF

ZINC37822350

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) -0.98 -0.39 -53.83 6 7 1 120 358.216 7
Hi High (pH 8-9.5) -0.98 -0.8 -16.67 5 7 0 119 357.208 7

Activity (Go SEA)

Rings

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