UCSF

ZINC37818110

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) -0.32 1.21 -61.25 4 6 1 86 280.348 7
Hi High (pH 8-9.5) -0.32 0.81 -15.48 3 6 0 85 279.34 7

Activity (Go SEA)

Rings

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