UCSF

ZINC37820627

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) -0.34 2.08 -48.69 3 5 1 60 270.397 5
Mid Mid (pH 6-8) -0.34 4.03 -94.76 4 5 2 62 271.405 5

Activity (Go SEA)

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