UCSF

ZINC34052938

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2009 21 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) -0.33 1.37 -195.34 8 6 3 107 325.543 16
Hi High (pH 8-9.5) -0.33 -0.05 -106.4 7 6 2 102 324.535 16
Hi High (pH 8-9.5) -0.33 1 -115.64 7 6 2 105 324.535 16

Activity (Go SEA)

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