UCSF

ZINC36873436

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) -0.07 1.33 -43.74 3 5 1 66 233.332 9
Hi High (pH 8-9.5) -0.07 1.07 -6.31 2 5 0 65 232.324 9

Activity (Go SEA)

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