UCSF

ZINC25527230

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 26 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) 0.79 4.11 -15.53 2 7 0 103 371.418 5
Hi High (pH 8-9.5) 1.69 3.46 -50.16 1 7 -1 106 370.41 5

Activity (Go SEA)

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