UCSF

ZINC37841504

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) -0.06 5.1 -42.33 2 5 1 53 249.338 1
Mid Mid (pH 6-8) -0.06 2.86 -8.71 1 5 0 52 248.33 1

Activity (Go SEA)

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