UCSF

ZINC37835836

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) -0.20 5.17 -84.53 2 6 0 85 270.329 5
Lo Low (pH 4.5-6) -0.20 3.9 -47.5 3 6 1 82 271.337 5

Activity (Go SEA)

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