UCSF

ZINC37835865

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) -0.10 8.6 -100.08 2 6 1 69 286.396 7
Lo Low (pH 4.5-6) -0.10 6.63 -92.49 3 6 2 66 287.404 7

Activity (Go SEA)

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