UCSF

ZINC38101324

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2009 14 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) -0.05 4.03 -40.59 2 4 1 46 201.29 7
Hi High (pH 8-9.5) -0.05 2.66 -9.86 1 4 0 42 200.282 7

Activity (Go SEA)

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