UCSF

ZINC35526629

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 29 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) -0.05 0.71 -14.63 1 10 0 106 404.471 7
Mid Mid (pH 6-8) -0.05 2.97 -49.28 2 10 1 107 405.479 7

Activity (Go SEA)

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