UCSF

ZINC26380429

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 18 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) -0.78 -4.57 -13.41 3 7 0 105 372.09 2
Hi High (pH 8-9.5) -0.33 -6.38 -49.16 2 7 -1 108 371.082 2

Activity (Go SEA)

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