UCSF

ZINC34660153

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 21 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) 1.27 6.72 -68.56 3 7 1 101 294.331 7
Hi High (pH 8-9.5) 1.27 5.27 -22.07 2 7 0 96 293.323 7

Activity (Go SEA)

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