UCSF

ZINC37854745

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) -0.99 -2.75 -41.84 3 5 1 53 232.348 7
Mid Mid (pH 6-8) -0.99 -1.64 -36.09 3 5 1 49 232.348 7
Mid Mid (pH 6-8) -0.99 0.62 -82.93 4 5 2 50 233.356 7

Activity (Go SEA)

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