UCSF

ZINC35721173

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 19 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) -0.11 2.74 -57.69 3 6 -1 112 263.273 6
Lo Low (pH 4.5-6) -0.11 0.56 -14.62 4 6 0 109 264.281 6

Activity (Go SEA)

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