UCSF

ZINC37822206

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) -0.24 1.72 -39.68 3 5 1 70 264.349 4
Lo Low (pH 4.5-6) -0.24 2.19 -88.81 4 5 2 71 265.357 4

Activity (Go SEA)

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