UCSF

ZINC19837761

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 34 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) 1.19 4.32 -14.99 0 9 0 76 470.57 6
Mid Mid (pH 6-8) 1.19 6.7 -56.91 1 9 1 78 471.578 6

Activity (Go SEA)

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