UCSF

ZINC37054127

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 0.41 3.4 -15.54 3 6 0 90 294.38 6
Mid Mid (pH 6-8) 0.41 3.91 -42.32 4 6 1 91 295.388 6

Activity (Go SEA)

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