UCSF

ZINC29416943

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2009 36 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) -0.45 6.77 -124.98 5 13 -2 216 494.512 12
Lo Low (pH 4.5-6) -0.45 7.27 -124.4 6 13 -1 217 495.52 12

Activity (Go SEA)

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