UCSF

ZINC37807208

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 16 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) 0.78 0.02 -37.94 5 5 1 91 230.332 5
Mid Mid (pH 6-8) 0.78 -0.3 -11.26 4 5 0 89 229.324 5

Activity (Go SEA)

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