UCSF

ZINC36749287

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 16 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) 2.02 4.79 -4.66 2 4 0 47 222.336 2
Lo Low (pH 4.5-6) 2.02 5.33 -29.46 3 4 1 48 223.344 2

Activity (Go SEA)

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