UCSF

ZINC20680783

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 27 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) 1.79 6.67 -16.69 1 6 0 69 386.452 3
Mid Mid (pH 6-8) 1.79 8.86 -61.73 2 6 1 70 387.46 3

Activity (Go SEA)

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