UCSF

ZINC26897814

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 31 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) 2.52 6.26 -96.48 6 6 2 92 432.605 16
Hi High (pH 8-9.5) 2.52 4.89 -48.64 5 6 1 88 431.597 16

Activity (Go SEA)

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