UCSF

ZINC36366026

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 25 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) 2.25 4.17 -11.77 2 6 0 80 335.363 3
Ref Reference (pH 7) 2.06 6.83 -11.46 2 6 0 76 335.363 3
Mid Mid (pH 6-8) 2.06 7.29 -43.54 3 6 1 78 336.371 3

Activity (Go SEA)

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