UCSF

ZINC37853619

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 16 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) 1.39 2.39 -7.46 2 3 0 41 219.284 6
Mid Mid (pH 6-8) 1.39 3.77 -45.09 3 3 1 46 220.292 6

Activity (Go SEA)

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