UCSF

ZINC13144242

Substance Information

In ZINC since Heavy atoms Benign functionality
May 30th, 2008 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) 4.46 11.32 -10.25 1 4 0 47 373.431 5
Lo Low (pH 4.5-6) 4.46 11.98 -32.75 2 4 1 48 374.439 5

Activity (Go SEA)

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