UCSF

ZINC37824793

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) -1.04 -0.63 -40.25 5 7 1 113 281.336 8
Hi High (pH 8-9.5) -1.04 -0.97 -12.44 4 7 0 112 280.328 8
Lo Low (pH 4.5-6) -1.04 -0.41 -87.97 6 7 2 114 282.344 8

Activity (Go SEA)

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