UCSF

ZINC69969182

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 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) 1.84 4.47 -33.75 2 6 1 55 336.456 9
Mid Mid (pH 6-8) 1.84 2.22 -9.9 1 6 0 54 335.448 9

Activity (Go SEA)

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