UCSF

ZINC14948318

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 22 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) 2.88 6.21 -57.04 5 4 1 79 295.341 3
Lo Low (pH 4.5-6) 2.88 6.44 -108.15 6 4 2 81 296.349 3
Lo Low (pH 4.5-6) 2.88 3.09 -118.34 6 4 2 81 296.349 3

Activity (Go SEA)

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