UCSF

ZINC37813890

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) -1.09 2.04 -16.6 4 5 0 89 275.352 5
Mid Mid (pH 6-8) -1.09 2.37 -43.51 5 5 1 91 276.36 5

Activity (Go SEA)

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