UCSF

ZINC16694089

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2008 20 No

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) 2.32 4.96 -20.57 2 5 0 86 332.157 2
Hi High (pH 8-9.5) 2.78 2.29 -62.56 1 5 -1 89 331.149 2

Activity (Go SEA)

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