UCSF

ZINC36775772

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 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) 1.58 5.05 -45.07 3 3 1 44 294.781 5
Lo Low (pH 4.5-6) 1.58 6.68 -117.65 4 3 2 45 295.789 5

Activity (Go SEA)

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