UCSF

ZINC37812635

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 1.01 6.49 -41.38 2 4 1 37 272.372 1
Mid Mid (pH 6-8) 1.01 4.36 -8.83 1 4 0 36 271.364 1

Activity (Go SEA)

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