UCSF

ZINC47655139

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2010 24 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) 3.93 5.2 -37.1 1 5 -1 77 386.28 5
Mid Mid (pH 6-8) 3.93 5.06 -12.19 2 5 0 75 387.288 5

Activity (Go SEA)

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