UCSF

ZINC04732822

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 28 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) 1.27 1.87 -16.63 3 9 0 130 405.432 7
Hi High (pH 8-9.5) 1.27 1.93 -45.66 2 9 -1 132 404.424 7

Activity (Go SEA)

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