UCSF

ZINC36678516

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 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) 2.79 6.8 -100.02 5 4 2 59 296.846 5
Mid Mid (pH 6-8) 2.79 5.07 -33.99 4 4 1 58 295.838 5
Mid Mid (pH 6-8) -0.12 7.62 -26.05 5 4 1 59 295.838 5

Activity (Go SEA)

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