UCSF

ZINC37818635

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) -1.34 4.8 -45.01 2 7 1 81 281.336 5
Hi High (pH 8-9.5) -1.34 3.52 -9.92 1 7 0 76 280.328 5

Activity (Go SEA)

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