UCSF

ZINC33328721

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2009 29 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) 2.92 10.33 -19.34 2 8 0 110 431.543 7
Hi High (pH 8-9.5) 2.92 9.87 -43.02 1 8 -1 108 430.535 7

Activity (Go SEA)

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