UCSF

ZINC37859754

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 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) 1.54 7.38 -175.78 5 4 3 46 288.5 11
Hi High (pH 8-9.5) 1.54 7.89 -93.81 4 4 2 49 287.492 11

Activity (Go SEA)

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