UCSF

ZINC35042663

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 21 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) 3.14 8.71 -49.2 2 5 1 69 294.371 9
Mid Mid (pH 6-8) 3.14 8.8 -9.4 1 5 0 65 293.363 9

Activity (Go SEA)

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