UCSF

ZINC37812427

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 16 No

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) 0.84 4.67 -41.27 2 4 1 50 241.336 4
Mid Mid (pH 6-8) 0.84 3.56 -10.18 1 4 0 45 240.328 4

Activity (Go SEA)

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