UCSF

ZINC14808082

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2008 19 No

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) 2.58 5.19 -7.77 3 4 0 68 276.723 4
Lo Low (pH 4.5-6) 2.58 4.93 -36.62 4 4 1 69 277.731 4
Lo Low (pH 4.5-6) 2.58 5.03 -34.36 4 4 1 69 277.731 4

Activity (Go SEA)

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