UCSF

ZINC37839944

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 0.33 -0.45 -16.72 2 7 0 99 287.341 6
Hi High (pH 8-9.5) 0.79 -2.4 -56.41 1 7 -1 102 286.333 6

Activity (Go SEA)

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