UCSF

ZINC26514092

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 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) -0.08 0.05 -48.19 4 4 1 60 214.333 4
Mid Mid (pH 6-8) -0.08 1.86 -35.38 4 4 1 60 214.333 4
Mid Mid (pH 6-8) -0.08 2.18 -105.35 5 4 2 61 215.341 4

Activity (Go SEA)

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