UCSF

ZINC37786339

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 15 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) 2.83 5.21 -35.23 2 2 1 20 213.389 4
Lo Low (pH 4.5-6) 2.83 7.33 -98.19 3 2 2 21 214.397 4

Activity (Go SEA)

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