UCSF

ZINC14754348

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2008 34 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) 3.80 10.19 -18.06 2 9 0 104 468.554 13
Lo Low (pH 4.5-6) 3.80 10.46 -45.09 3 9 1 105 469.562 13

Activity (Go SEA)

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