UCSF

ZINC04521224

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2005 25 No

CAS Number: 109276-34-8

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) -0.18 -0.04 -26.34 6 8 0 125 371.507 11
Lo Low (pH 4.5-6) -0.18 -0.22 -64.48 7 8 1 127 372.515 11

Activity (Go SEA)

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