UCSF

ZINC37039563

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) 0.86 6.32 -42.75 3 5 1 60 264.397 5
Mid Mid (pH 6-8) 0.86 7.68 -104.75 4 5 2 61 265.405 5

Activity (Go SEA)

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