UCSF

ZINC44517139

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 20 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) 0.47 2.38 -36.27 6 6 1 98 278.38 5
Lo Low (pH 4.5-6) 0.47 2.74 -78.51 7 6 2 100 279.388 5

Activity (Go SEA)

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